USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= -0.782 K(o=0.95,f=-1.3) USER MOD Set 1.2: A 120 THR OG1 : rot 82:sc= 1.73 USER MOD Set 2.1: A 66 LYS NZ :NH3+ -139:sc= 1.34 (180deg=0.225) USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 51 SER OG : rot 120:sc= -0.107 USER MOD Set 3.2: A 88 MET CE :methyl 169:sc= -0.623 (180deg=-0.702) USER MOD Set 4.1: A 43 HIS : no HD1:sc= 0.58 K(o=1.8,f=-2.8) USER MOD Set 4.2: A 45 SER OG : rot 88:sc= 1.23 USER MOD Single : A 10 TYR OH : rot 153:sc=0.000374 USER MOD Single : A 13 SER OG : rot 88:sc= 0.458 USER MOD Single : A 15 MET CE :methyl -152:sc= -3.15 (180deg=-7.96!) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.363 USER MOD Single : A 21 SER OG : rot -19:sc= 0.43 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 175:sc= -0.81 USER MOD Single : A 41 SER OG : rot 76:sc= 0.382 USER MOD Single : A 42 SER OG : rot 78:sc= 1.38 USER MOD Single : A 48 LYS NZ :NH3+ 137:sc= 0.153 (180deg=-0.266!) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.808 (180deg=0.664) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 61 LYS NZ :NH3+ -140:sc= 1.27 (180deg=0.791) USER MOD Single : A 62 SER OG : rot 102:sc= 0.449 USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= 1.63 (180deg=0.857) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.99) USER MOD Single : A 75 TYR OH : rot 130:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= -0.472 (180deg=-1.63!) USER MOD Single : A 80 SER OG : rot 89:sc= 1.26 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.881 K(o=0.88,f=-2.3) USER MOD Single : A 91 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.15) USER MOD Single : A 92 SER OG : rot -20:sc= 0.0596 USER MOD Single : A 97 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.2!) USER MOD Single : A 100 HIS : no HD1:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.214) USER MOD Single : A 114 ASN : amide:sc= 0.908 K(o=0.91,f=-5.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 124 THR OG1 : rot -91:sc= 0.465 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.611 14.171 3.388 1.00 0.00 N ATOM 93 CA TYR A 10 8.149 14.183 3.384 1.00 0.00 C ATOM 94 C TYR A 10 7.574 14.100 1.975 1.00 0.00 C ATOM 95 O TYR A 10 6.511 13.517 1.777 1.00 0.00 O ATOM 96 CB TYR A 10 7.681 15.474 4.054 1.00 0.00 C ATOM 97 CG TYR A 10 6.331 16.018 3.622 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.133 15.572 4.212 1.00 0.00 C ATOM 99 CD2 TYR A 10 6.290 16.993 2.610 1.00 0.00 C ATOM 100 CE1 TYR A 10 3.906 16.158 3.851 1.00 0.00 C ATOM 101 CE2 TYR A 10 5.088 17.625 2.283 1.00 0.00 C ATOM 102 CZ TYR A 10 3.899 17.232 2.933 1.00 0.00 C ATOM 103 OH TYR A 10 2.750 17.878 2.611 1.00 0.00 O ATOM 0 HA TYR A 10 7.794 13.306 3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.651 15.307 5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.432 16.243 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.156 14.778 4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.195 17.255 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.981 15.791 4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.069 18.408 1.539 1.00 0.00 H new ATOM 0 HH TYR A 10 2.955 18.800 2.348 1.00 0.00 H new ATOM 113 N TRP A 11 8.278 14.627 0.973 1.00 0.00 N ATOM 114 CA TRP A 11 7.847 14.529 -0.415 1.00 0.00 C ATOM 115 C TRP A 11 7.628 13.073 -0.873 1.00 0.00 C ATOM 116 O TRP A 11 6.793 12.813 -1.738 1.00 0.00 O ATOM 117 CB TRP A 11 8.818 15.276 -1.327 1.00 0.00 C ATOM 118 CG TRP A 11 8.129 16.041 -2.409 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.747 17.331 -2.316 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.692 15.585 -3.722 1.00 0.00 C ATOM 121 NE1 TRP A 11 7.185 17.737 -3.511 1.00 0.00 N ATOM 122 CE2 TRP A 11 7.132 16.698 -4.419 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.697 14.344 -4.390 1.00 0.00 C ATOM 124 CZ2 TRP A 11 6.671 16.595 -5.740 1.00 0.00 C ATOM 125 CZ3 TRP A 11 7.190 14.217 -5.694 1.00 0.00 C ATOM 126 CH2 TRP A 11 6.719 15.347 -6.383 1.00 0.00 C ATOM 0 H TRP A 11 9.156 15.130 1.102 1.00 0.00 H new ATOM 0 HA TRP A 11 6.871 15.009 -0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.416 15.963 -0.728 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.508 14.562 -1.777 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.863 17.952 -1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.852 18.683 -3.698 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.098 13.475 -3.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.285 17.462 -6.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.162 13.247 -6.168 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.393 15.256 -7.409 1.00 0.00 H new ATOM 137 N ARG A 12 8.305 12.094 -0.266 1.00 0.00 N ATOM 138 CA ARG A 12 8.062 10.675 -0.514 1.00 0.00 C ATOM 139 C ARG A 12 6.610 10.313 -0.151 1.00 0.00 C ATOM 140 O ARG A 12 6.017 9.463 -0.812 1.00 0.00 O ATOM 141 CB ARG A 12 9.075 9.827 0.285 1.00 0.00 C ATOM 142 CG ARG A 12 10.571 10.154 0.064 1.00 0.00 C ATOM 143 CD ARG A 12 11.198 9.473 -1.143 1.00 0.00 C ATOM 144 NE ARG A 12 12.340 10.210 -1.709 1.00 0.00 N ATOM 145 CZ ARG A 12 13.395 9.655 -2.321 1.00 0.00 C ATOM 146 NH1 ARG A 12 13.548 8.339 -2.367 1.00 0.00 N ATOM 147 NH2 ARG A 12 14.322 10.386 -2.914 1.00 0.00 N ATOM 0 H ARG A 12 9.043 12.268 0.417 1.00 0.00 H new ATOM 0 HA ARG A 12 8.200 10.460 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.854 9.940 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.914 8.778 0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.681 11.233 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.128 9.867 0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.527 8.474 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.438 9.349 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 12 12.327 11.227 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.856 7.730 -1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.358 7.936 -2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.246 11.403 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.113 9.933 -3.371 1.00 0.00 H new ATOM 161 N SER A 13 6.014 10.951 0.865 1.00 0.00 N ATOM 162 CA SER A 13 4.630 10.750 1.287 1.00 0.00 C ATOM 163 C SER A 13 3.694 11.258 0.201 1.00 0.00 C ATOM 164 O SER A 13 2.651 10.667 -0.067 1.00 0.00 O ATOM 165 CB SER A 13 4.400 11.496 2.617 1.00 0.00 C ATOM 166 OG SER A 13 3.216 11.109 3.287 1.00 0.00 O ATOM 0 H SER A 13 6.503 11.644 1.432 1.00 0.00 H new ATOM 0 HA SER A 13 4.427 9.690 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.252 11.322 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.363 12.568 2.421 1.00 0.00 H new ATOM 0 HG SER A 13 3.403 10.338 3.862 1.00 0.00 H new ATOM 172 N ARG A 14 4.077 12.351 -0.458 1.00 0.00 N ATOM 173 CA ARG A 14 3.281 12.973 -1.503 1.00 0.00 C ATOM 174 C ARG A 14 3.097 12.043 -2.686 1.00 0.00 C ATOM 175 O ARG A 14 2.026 12.069 -3.287 1.00 0.00 O ATOM 176 CB ARG A 14 3.918 14.309 -1.915 1.00 0.00 C ATOM 177 CG ARG A 14 4.169 15.246 -0.718 1.00 0.00 C ATOM 178 CD ARG A 14 2.853 15.593 -0.020 1.00 0.00 C ATOM 179 NE ARG A 14 2.029 16.454 -0.887 1.00 0.00 N ATOM 180 CZ ARG A 14 2.266 17.742 -1.151 1.00 0.00 C ATOM 181 NH1 ARG A 14 3.070 18.454 -0.371 1.00 0.00 N ATOM 182 NH2 ARG A 14 1.697 18.295 -2.213 1.00 0.00 N ATOM 0 H ARG A 14 4.959 12.831 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 14 2.284 13.177 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.863 14.114 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.268 14.810 -2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.847 14.768 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.657 16.159 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.309 14.680 0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.056 16.101 0.923 1.00 0.00 H new ATOM 0 HE ARG A 14 1.209 16.031 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.513 18.018 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.245 19.437 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.089 17.738 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.867 19.277 -2.429 1.00 0.00 H new ATOM 196 N MET A 15 4.083 11.196 -2.989 1.00 0.00 N ATOM 197 CA MET A 15 3.939 10.214 -4.056 1.00 0.00 C ATOM 198 C MET A 15 2.836 9.215 -3.721 1.00 0.00 C ATOM 199 O MET A 15 2.102 8.800 -4.615 1.00 0.00 O ATOM 200 CB MET A 15 5.245 9.469 -4.308 1.00 0.00 C ATOM 201 CG MET A 15 6.454 10.389 -4.534 1.00 0.00 C ATOM 202 SD MET A 15 7.487 9.978 -5.965 1.00 0.00 S ATOM 203 CE MET A 15 7.523 8.172 -5.851 1.00 0.00 C ATOM 0 H MET A 15 4.984 11.173 -2.511 1.00 0.00 H new ATOM 0 HA MET A 15 3.671 10.756 -4.963 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.450 8.818 -3.458 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.122 8.826 -5.180 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.094 11.412 -4.649 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.077 10.368 -3.640 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.447 7.798 -6.291 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.472 7.872 -4.804 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.671 7.756 -6.389 1.00 0.00 H new ATOM 213 N ILE A 16 2.728 8.819 -2.450 1.00 0.00 N ATOM 214 CA ILE A 16 1.698 7.903 -1.988 1.00 0.00 C ATOM 215 C ILE A 16 0.348 8.615 -2.040 1.00 0.00 C ATOM 216 O ILE A 16 -0.598 8.110 -2.643 1.00 0.00 O ATOM 217 CB ILE A 16 2.043 7.378 -0.574 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.471 6.792 -0.457 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.018 6.327 -0.123 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.847 5.851 -1.601 1.00 0.00 C ATOM 0 H ILE A 16 3.360 9.131 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 16 1.643 7.029 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 16 2.004 8.248 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.188 7.612 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.557 6.254 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.278 5.970 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.024 6.774 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.024 5.490 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.861 5.481 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.153 5.010 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.795 6.390 -2.547 1.00 0.00 H new ATOM 232 N ASP A 17 0.256 9.797 -1.428 1.00 0.00 N ATOM 233 CA ASP A 17 -1.008 10.514 -1.295 1.00 0.00 C ATOM 234 C ASP A 17 -1.611 10.789 -2.670 1.00 0.00 C ATOM 235 O ASP A 17 -2.806 10.582 -2.879 1.00 0.00 O ATOM 236 CB ASP A 17 -0.843 11.811 -0.491 1.00 0.00 C ATOM 237 CG ASP A 17 -1.805 11.888 0.697 1.00 0.00 C ATOM 238 OD1 ASP A 17 -3.005 11.542 0.592 1.00 0.00 O ATOM 239 OD2 ASP A 17 -1.346 12.362 1.760 1.00 0.00 O ATOM 0 H ASP A 17 1.053 10.280 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.697 9.879 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.183 11.883 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.011 12.665 -1.147 1.00 0.00 H new ATOM 244 N ALA A 18 -0.760 11.157 -3.638 1.00 0.00 N ATOM 245 CA ALA A 18 -1.104 11.432 -5.029 1.00 0.00 C ATOM 246 C ALA A 18 -1.777 10.261 -5.757 1.00 0.00 C ATOM 247 O ALA A 18 -2.340 10.477 -6.838 1.00 0.00 O ATOM 248 CB ALA A 18 0.176 11.816 -5.775 1.00 0.00 C ATOM 0 H ALA A 18 0.237 11.275 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.835 12.241 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.060 12.026 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.612 12.703 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.889 10.993 -5.723 1.00 0.00 H new ATOM 254 N VAL A 19 -1.738 9.046 -5.211 1.00 0.00 N ATOM 255 CA VAL A 19 -2.423 7.879 -5.757 1.00 0.00 C ATOM 256 C VAL A 19 -3.423 7.285 -4.779 1.00 0.00 C ATOM 257 O VAL A 19 -4.123 6.335 -5.142 1.00 0.00 O ATOM 258 CB VAL A 19 -1.425 6.824 -6.254 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.695 7.384 -7.462 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.414 6.352 -5.200 1.00 0.00 C ATOM 0 H VAL A 19 -1.217 8.843 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.996 8.224 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.005 5.937 -6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.019 6.647 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.415 7.615 -8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.165 8.293 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.250 5.608 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.173 7.202 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.946 5.910 -4.358 1.00 0.00 H new ATOM 270 N THR A 20 -3.562 7.854 -3.582 1.00 0.00 N ATOM 271 CA THR A 20 -4.564 7.463 -2.605 1.00 0.00 C ATOM 272 C THR A 20 -5.654 8.530 -2.459 1.00 0.00 C ATOM 273 O THR A 20 -6.514 8.379 -1.601 1.00 0.00 O ATOM 274 CB THR A 20 -3.906 6.989 -1.298 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.118 7.986 -0.694 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.992 5.778 -1.551 1.00 0.00 C ATOM 0 H THR A 20 -2.965 8.617 -3.262 1.00 0.00 H new ATOM 0 HA THR A 20 -5.104 6.589 -2.968 1.00 0.00 H new ATOM 0 HB THR A 20 -4.730 6.729 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.600 7.594 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.539 5.462 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.580 4.958 -1.964 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.209 6.054 -2.257 1.00 0.00 H new ATOM 284 N SER A 21 -5.655 9.564 -3.309 1.00 0.00 N ATOM 285 CA SER A 21 -6.533 10.722 -3.253 1.00 0.00 C ATOM 286 C SER A 21 -7.979 10.234 -3.326 1.00 0.00 C ATOM 287 O SER A 21 -8.389 9.721 -4.374 1.00 0.00 O ATOM 288 CB SER A 21 -6.200 11.690 -4.405 1.00 0.00 C ATOM 289 OG SER A 21 -4.805 11.771 -4.669 1.00 0.00 O ATOM 0 H SER A 21 -5.005 9.610 -4.094 1.00 0.00 H new ATOM 0 HA SER A 21 -6.391 11.268 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.718 11.366 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.577 12.683 -4.160 1.00 0.00 H new ATOM 0 HG SER A 21 -4.305 11.446 -3.891 1.00 0.00 H new ATOM 295 N ASP A 22 -8.707 10.292 -2.212 1.00 0.00 N ATOM 296 CA ASP A 22 -10.069 9.796 -2.097 1.00 0.00 C ATOM 297 C ASP A 22 -11.000 10.640 -2.956 1.00 0.00 C ATOM 298 O ASP A 22 -11.339 11.769 -2.610 1.00 0.00 O ATOM 299 CB ASP A 22 -10.570 9.667 -0.658 1.00 0.00 C ATOM 300 CG ASP A 22 -10.558 10.913 0.227 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.461 11.467 0.485 1.00 0.00 O ATOM 302 OD2 ASP A 22 -11.601 11.212 0.846 1.00 0.00 O ATOM 0 H ASP A 22 -8.353 10.696 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.066 8.773 -2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.594 9.295 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.970 8.902 -0.164 1.00 0.00 H new ATOM 307 N GLU A 23 -11.355 10.089 -4.110 1.00 0.00 N ATOM 308 CA GLU A 23 -12.232 10.626 -5.135 1.00 0.00 C ATOM 309 C GLU A 23 -13.073 9.446 -5.624 1.00 0.00 C ATOM 310 O GLU A 23 -12.826 8.299 -5.250 1.00 0.00 O ATOM 311 CB GLU A 23 -11.402 11.158 -6.315 1.00 0.00 C ATOM 312 CG GLU A 23 -10.443 12.308 -5.974 1.00 0.00 C ATOM 313 CD GLU A 23 -11.145 13.566 -5.468 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.324 13.800 -5.820 1.00 0.00 O ATOM 315 OE2 GLU A 23 -10.479 14.375 -4.780 1.00 0.00 O ATOM 0 H GLU A 23 -11.001 9.169 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.841 11.441 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.822 10.334 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.084 11.494 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.737 11.968 -5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.862 12.559 -6.861 1.00 0.00 H new ATOM 322 N ASP A 24 -14.032 9.677 -6.508 1.00 0.00 N ATOM 323 CA ASP A 24 -14.836 8.594 -7.054 1.00 0.00 C ATOM 324 C ASP A 24 -14.054 7.611 -7.938 1.00 0.00 C ATOM 325 O ASP A 24 -14.529 6.491 -8.150 1.00 0.00 O ATOM 326 CB ASP A 24 -16.011 9.179 -7.844 1.00 0.00 C ATOM 327 CG ASP A 24 -15.633 9.605 -9.264 1.00 0.00 C ATOM 328 OD1 ASP A 24 -14.588 10.272 -9.459 1.00 0.00 O ATOM 329 OD2 ASP A 24 -16.418 9.295 -10.186 1.00 0.00 O ATOM 0 H ASP A 24 -14.272 10.603 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.187 8.014 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.810 8.439 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.408 10.041 -7.307 1.00 0.00 H new ATOM 334 N LYS A 25 -12.879 7.982 -8.458 1.00 0.00 N ATOM 335 CA LYS A 25 -12.144 7.247 -9.495 1.00 0.00 C ATOM 336 C LYS A 25 -10.848 6.648 -8.947 1.00 0.00 C ATOM 337 O LYS A 25 -10.331 7.068 -7.908 1.00 0.00 O ATOM 338 CB LYS A 25 -11.908 8.208 -10.673 1.00 0.00 C ATOM 339 CG LYS A 25 -11.253 7.577 -11.914 1.00 0.00 C ATOM 340 CD LYS A 25 -11.220 8.523 -13.119 1.00 0.00 C ATOM 341 CE LYS A 25 -10.370 9.779 -12.886 1.00 0.00 C ATOM 342 NZ LYS A 25 -10.238 10.572 -14.128 1.00 0.00 N ATOM 0 H LYS A 25 -12.397 8.830 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.726 6.394 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.865 8.639 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.281 9.030 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.235 7.276 -11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.797 6.672 -12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.830 7.985 -13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.239 8.823 -13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.826 10.391 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.381 9.491 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.659 11.415 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.782 9.994 -14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.181 10.865 -14.455 1.00 0.00 H new ATOM 356 N VAL A 26 -10.308 5.655 -9.652 1.00 0.00 N ATOM 357 CA VAL A 26 -8.978 5.092 -9.433 1.00 0.00 C ATOM 358 C VAL A 26 -7.883 6.134 -9.733 1.00 0.00 C ATOM 359 O VAL A 26 -8.165 7.252 -10.174 1.00 0.00 O ATOM 360 CB VAL A 26 -8.817 3.808 -10.283 1.00 0.00 C ATOM 361 CG1 VAL A 26 -9.857 2.750 -9.882 1.00 0.00 C ATOM 362 CG2 VAL A 26 -8.924 4.062 -11.796 1.00 0.00 C ATOM 0 H VAL A 26 -10.804 5.204 -10.420 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.865 4.819 -8.384 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.810 3.446 -10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.723 1.858 -10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.727 2.492 -8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.860 3.148 -10.037 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.802 3.121 -12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.901 4.487 -12.025 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.144 4.759 -12.104 1.00 0.00 H new ATOM 372 N ALA A 27 -6.627 5.763 -9.491 1.00 0.00 N ATOM 373 CA ALA A 27 -5.434 6.393 -10.041 1.00 0.00 C ATOM 374 C ALA A 27 -4.889 5.498 -11.171 1.00 0.00 C ATOM 375 O ALA A 27 -5.217 4.307 -11.206 1.00 0.00 O ATOM 376 CB ALA A 27 -4.419 6.547 -8.905 1.00 0.00 C ATOM 0 H ALA A 27 -6.406 4.979 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.647 7.377 -10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.513 7.017 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.846 7.169 -8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.175 5.565 -8.500 1.00 0.00 H new ATOM 382 N PRO A 28 -4.053 6.014 -12.083 1.00 0.00 N ATOM 383 CA PRO A 28 -3.434 5.203 -13.128 1.00 0.00 C ATOM 384 C PRO A 28 -2.262 4.384 -12.574 1.00 0.00 C ATOM 385 O PRO A 28 -1.663 4.753 -11.562 1.00 0.00 O ATOM 386 CB PRO A 28 -2.916 6.212 -14.145 1.00 0.00 C ATOM 387 CG PRO A 28 -2.524 7.390 -13.255 1.00 0.00 C ATOM 388 CD PRO A 28 -3.586 7.392 -12.168 1.00 0.00 C ATOM 0 HA PRO A 28 -4.142 4.492 -13.554 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.066 5.825 -14.707 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.680 6.487 -14.872 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.525 7.261 -12.838 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.519 8.327 -13.811 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.174 7.727 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.403 8.069 -12.418 1.00 0.00 H new ATOM 396 N VAL A 29 -1.862 3.333 -13.293 1.00 0.00 N ATOM 397 CA VAL A 29 -0.702 2.530 -12.919 1.00 0.00 C ATOM 398 C VAL A 29 0.583 3.365 -12.955 1.00 0.00 C ATOM 399 O VAL A 29 1.400 3.205 -12.052 1.00 0.00 O ATOM 400 CB VAL A 29 -0.590 1.265 -13.798 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.630 0.411 -13.412 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.843 0.385 -13.666 1.00 0.00 C ATOM 0 H VAL A 29 -2.330 3.019 -14.143 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.843 2.196 -11.891 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.483 1.615 -14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.675 -0.470 -14.052 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.540 0.998 -13.538 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.541 0.099 -12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.735 -0.498 -14.296 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.964 0.077 -12.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.720 0.951 -13.981 1.00 0.00 H new ATOM 412 N TYR A 30 0.748 4.287 -13.916 1.00 0.00 N ATOM 413 CA TYR A 30 2.006 5.024 -14.057 1.00 0.00 C ATOM 414 C TYR A 30 2.338 5.883 -12.833 1.00 0.00 C ATOM 415 O TYR A 30 3.495 6.234 -12.635 1.00 0.00 O ATOM 416 CB TYR A 30 2.027 5.873 -15.339 1.00 0.00 C ATOM 417 CG TYR A 30 1.148 7.110 -15.351 1.00 0.00 C ATOM 418 CD1 TYR A 30 1.590 8.291 -14.724 1.00 0.00 C ATOM 419 CD2 TYR A 30 -0.092 7.103 -16.015 1.00 0.00 C ATOM 420 CE1 TYR A 30 0.778 9.438 -14.705 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.915 8.243 -15.998 1.00 0.00 C ATOM 422 CZ TYR A 30 -0.494 9.408 -15.319 1.00 0.00 C ATOM 423 OH TYR A 30 -1.319 10.484 -15.221 1.00 0.00 O ATOM 0 H TYR A 30 0.032 4.536 -14.599 1.00 0.00 H new ATOM 0 HA TYR A 30 2.786 4.267 -14.134 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.055 6.184 -15.524 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.731 5.237 -16.173 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.562 8.316 -14.253 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.414 6.216 -16.541 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.125 10.340 -14.222 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.869 8.228 -16.504 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.154 10.300 -15.700 1.00 0.00 H new ATOM 433 N LYS A 31 1.352 6.236 -12.001 1.00 0.00 N ATOM 434 CA LYS A 31 1.636 6.962 -10.769 1.00 0.00 C ATOM 435 C LYS A 31 1.947 6.022 -9.602 1.00 0.00 C ATOM 436 O LYS A 31 2.400 6.519 -8.574 1.00 0.00 O ATOM 437 CB LYS A 31 0.479 7.898 -10.410 1.00 0.00 C ATOM 438 CG LYS A 31 0.308 9.062 -11.383 1.00 0.00 C ATOM 439 CD LYS A 31 -0.642 10.109 -10.801 1.00 0.00 C ATOM 440 CE LYS A 31 -0.644 11.326 -11.722 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.495 12.412 -11.200 1.00 0.00 N ATOM 0 H LYS A 31 0.365 6.032 -12.159 1.00 0.00 H new ATOM 0 HA LYS A 31 2.529 7.560 -10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.446 7.323 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.641 8.294 -9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.277 9.516 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.082 8.696 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.648 9.700 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.324 10.393 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.376 11.691 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.997 11.032 -12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.468 13.219 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.474 12.073 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.144 12.711 -10.268 1.00 0.00 H new ATOM 455 N LEU A 32 1.648 4.719 -9.689 1.00 0.00 N ATOM 456 CA LEU A 32 1.982 3.739 -8.667 1.00 0.00 C ATOM 457 C LEU A 32 3.414 3.267 -8.884 1.00 0.00 C ATOM 458 O LEU A 32 4.154 3.074 -7.923 1.00 0.00 O ATOM 459 CB LEU A 32 1.052 2.510 -8.747 1.00 0.00 C ATOM 460 CG LEU A 32 -0.464 2.757 -8.757 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.207 1.422 -8.892 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.945 3.451 -7.486 1.00 0.00 C ATOM 0 H LEU A 32 1.159 4.317 -10.489 1.00 0.00 H new ATOM 0 HA LEU A 32 1.865 4.210 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.307 1.956 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.280 1.862 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.676 3.408 -9.605 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.282 1.603 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.915 0.936 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.953 0.777 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.023 3.604 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.710 2.830 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.446 4.415 -7.387 1.00 0.00 H new ATOM 474 N GLU A 33 3.781 3.025 -10.141 1.00 0.00 N ATOM 475 CA GLU A 33 4.989 2.302 -10.521 1.00 0.00 C ATOM 476 C GLU A 33 6.270 3.055 -10.152 1.00 0.00 C ATOM 477 O GLU A 33 7.287 2.432 -9.854 1.00 0.00 O ATOM 478 CB GLU A 33 4.887 1.992 -12.022 1.00 0.00 C ATOM 479 CG GLU A 33 5.167 3.161 -12.979 1.00 0.00 C ATOM 480 CD GLU A 33 6.629 3.251 -13.429 1.00 0.00 C ATOM 481 OE1 GLU A 33 7.231 2.203 -13.758 1.00 0.00 O ATOM 482 OE2 GLU A 33 7.155 4.382 -13.523 1.00 0.00 O ATOM 0 H GLU A 33 3.231 3.335 -10.942 1.00 0.00 H new ATOM 0 HA GLU A 33 5.058 1.371 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.584 1.186 -12.253 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.885 1.615 -12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.531 3.060 -13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.888 4.094 -12.490 1.00 0.00 H new ATOM 489 N GLU A 34 6.193 4.384 -10.109 1.00 0.00 N ATOM 490 CA GLU A 34 7.293 5.268 -9.739 1.00 0.00 C ATOM 491 C GLU A 34 7.721 5.056 -8.274 1.00 0.00 C ATOM 492 O GLU A 34 8.898 5.197 -7.937 1.00 0.00 O ATOM 493 CB GLU A 34 6.862 6.721 -10.033 1.00 0.00 C ATOM 494 CG GLU A 34 7.743 7.755 -9.322 1.00 0.00 C ATOM 495 CD GLU A 34 7.770 9.140 -9.969 1.00 0.00 C ATOM 496 OE1 GLU A 34 6.726 9.826 -10.040 1.00 0.00 O ATOM 497 OE2 GLU A 34 8.885 9.637 -10.253 1.00 0.00 O ATOM 0 H GLU A 34 5.337 4.889 -10.338 1.00 0.00 H new ATOM 0 HA GLU A 34 8.178 5.037 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.899 6.896 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.826 6.858 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.397 7.858 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.762 7.372 -9.278 1.00 0.00 H new ATOM 504 N ILE A 35 6.790 4.712 -7.381 1.00 0.00 N ATOM 505 CA ILE A 35 7.098 4.491 -5.969 1.00 0.00 C ATOM 506 C ILE A 35 8.032 3.283 -5.847 1.00 0.00 C ATOM 507 O ILE A 35 8.963 3.293 -5.039 1.00 0.00 O ATOM 508 CB ILE A 35 5.786 4.327 -5.168 1.00 0.00 C ATOM 509 CG1 ILE A 35 5.017 5.664 -5.051 1.00 0.00 C ATOM 510 CG2 ILE A 35 6.030 3.783 -3.749 1.00 0.00 C ATOM 511 CD1 ILE A 35 4.291 6.167 -6.292 1.00 0.00 C ATOM 0 H ILE A 35 5.806 4.580 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 35 7.617 5.350 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 35 5.190 3.606 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.284 5.562 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.724 6.433 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.078 3.686 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.511 2.807 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.675 4.471 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.796 7.112 -6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.009 6.317 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.547 5.433 -6.601 1.00 0.00 H new ATOM 523 N CYS A 36 7.792 2.257 -6.668 1.00 0.00 N ATOM 524 CA CYS A 36 8.629 1.077 -6.741 1.00 0.00 C ATOM 525 C CYS A 36 10.050 1.467 -7.131 1.00 0.00 C ATOM 526 O CYS A 36 11.006 0.894 -6.607 1.00 0.00 O ATOM 527 CB CYS A 36 8.064 0.114 -7.794 1.00 0.00 C ATOM 528 SG CYS A 36 6.278 -0.128 -7.628 1.00 0.00 S ATOM 0 H CYS A 36 6.997 2.231 -7.306 1.00 0.00 H new ATOM 0 HA CYS A 36 8.644 0.592 -5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.284 0.500 -8.789 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.567 -0.849 -7.708 1.00 0.00 H new ATOM 0 HG CYS A 36 5.847 -0.864 -8.609 1.00 0.00 H new ATOM 534 N ASP A 37 10.180 2.406 -8.067 1.00 0.00 N ATOM 535 CA ASP A 37 11.465 2.897 -8.534 1.00 0.00 C ATOM 536 C ASP A 37 12.206 3.576 -7.390 1.00 0.00 C ATOM 537 O ASP A 37 13.336 3.199 -7.083 1.00 0.00 O ATOM 538 CB ASP A 37 11.273 3.837 -9.734 1.00 0.00 C ATOM 539 CG ASP A 37 12.498 3.798 -10.646 1.00 0.00 C ATOM 540 OD1 ASP A 37 12.811 2.697 -11.160 1.00 0.00 O ATOM 541 OD2 ASP A 37 13.112 4.863 -10.880 1.00 0.00 O ATOM 0 H ASP A 37 9.383 2.849 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 37 12.074 2.059 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.385 3.544 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.106 4.855 -9.383 1.00 0.00 H new ATOM 546 N LEU A 38 11.549 4.518 -6.699 1.00 0.00 N ATOM 547 CA LEU A 38 12.190 5.272 -5.629 1.00 0.00 C ATOM 548 C LEU A 38 12.772 4.375 -4.552 1.00 0.00 C ATOM 549 O LEU A 38 13.923 4.577 -4.166 1.00 0.00 O ATOM 550 CB LEU A 38 11.273 6.315 -4.986 1.00 0.00 C ATOM 551 CG LEU A 38 11.297 7.670 -5.727 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.795 8.827 -4.868 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.665 8.142 -6.263 1.00 0.00 C ATOM 0 H LEU A 38 10.575 4.771 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 38 13.005 5.803 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.252 5.933 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.574 6.467 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 38 10.641 7.444 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.836 9.752 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.766 8.634 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.424 8.922 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.548 9.104 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.365 8.246 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.050 7.410 -6.973 1.00 0.00 H new ATOM 565 N LEU A 39 12.009 3.392 -4.071 1.00 0.00 N ATOM 566 CA LEU A 39 12.450 2.495 -3.006 1.00 0.00 C ATOM 567 C LEU A 39 13.756 1.788 -3.404 1.00 0.00 C ATOM 568 O LEU A 39 14.644 1.623 -2.566 1.00 0.00 O ATOM 569 CB LEU A 39 11.347 1.475 -2.681 1.00 0.00 C ATOM 570 CG LEU A 39 10.056 2.070 -2.090 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.862 1.140 -2.325 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.221 2.284 -0.591 1.00 0.00 C ATOM 0 H LEU A 39 11.067 3.197 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 39 12.646 3.083 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.094 0.934 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.746 0.744 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 39 9.869 3.021 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.964 1.586 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.720 0.994 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.051 0.178 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.303 2.705 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.430 1.329 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.048 2.971 -0.410 1.00 0.00 H new ATOM 584 N ARG A 40 13.907 1.378 -4.672 1.00 0.00 N ATOM 585 CA ARG A 40 15.142 0.777 -5.183 1.00 0.00 C ATOM 586 C ARG A 40 16.243 1.830 -5.297 1.00 0.00 C ATOM 587 O ARG A 40 17.399 1.559 -4.963 1.00 0.00 O ATOM 588 CB ARG A 40 14.890 0.134 -6.557 1.00 0.00 C ATOM 589 CG ARG A 40 13.879 -1.023 -6.510 1.00 0.00 C ATOM 590 CD ARG A 40 13.566 -1.578 -7.911 1.00 0.00 C ATOM 591 NE ARG A 40 14.741 -2.214 -8.533 1.00 0.00 N ATOM 592 CZ ARG A 40 15.296 -3.373 -8.167 1.00 0.00 C ATOM 593 NH1 ARG A 40 14.704 -4.134 -7.248 1.00 0.00 N ATOM 594 NH2 ARG A 40 16.445 -3.774 -8.698 1.00 0.00 N ATOM 0 H ARG A 40 13.170 1.456 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 40 15.465 0.007 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.527 0.897 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.835 -0.234 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.274 -1.823 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.956 -0.678 -6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.757 -2.305 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.212 -0.769 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 40 15.171 -1.723 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.827 -3.832 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.128 -5.019 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.915 -3.195 -9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.858 -4.661 -8.410 1.00 0.00 H new ATOM 608 N SER A 41 15.909 3.046 -5.714 1.00 0.00 N ATOM 609 CA SER A 41 16.802 4.197 -5.792 1.00 0.00 C ATOM 610 C SER A 41 17.173 4.784 -4.412 1.00 0.00 C ATOM 611 O SER A 41 17.670 5.914 -4.368 1.00 0.00 O ATOM 612 CB SER A 41 16.147 5.257 -6.695 1.00 0.00 C ATOM 613 OG SER A 41 15.788 4.719 -7.957 1.00 0.00 O ATOM 0 H SER A 41 14.962 3.267 -6.022 1.00 0.00 H new ATOM 0 HA SER A 41 17.748 3.865 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.260 5.656 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.835 6.090 -6.837 1.00 0.00 H new ATOM 0 HG SER A 41 14.980 4.172 -7.862 1.00 0.00 H new ATOM 619 N SER A 42 16.913 4.087 -3.291 1.00 0.00 N ATOM 620 CA SER A 42 17.014 4.650 -1.945 1.00 0.00 C ATOM 621 C SER A 42 17.648 3.728 -0.908 1.00 0.00 C ATOM 622 O SER A 42 17.743 2.515 -1.101 1.00 0.00 O ATOM 623 CB SER A 42 15.614 5.003 -1.477 1.00 0.00 C ATOM 624 OG SER A 42 15.093 5.985 -2.328 1.00 0.00 O ATOM 0 H SER A 42 16.625 3.109 -3.301 1.00 0.00 H new ATOM 0 HA SER A 42 17.672 5.515 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.978 4.118 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.639 5.367 -0.450 1.00 0.00 H new ATOM 0 HG SER A 42 14.793 5.569 -3.163 1.00 0.00 H new ATOM 630 N HIS A 43 18.013 4.321 0.235 1.00 0.00 N ATOM 631 CA HIS A 43 18.429 3.617 1.441 1.00 0.00 C ATOM 632 C HIS A 43 17.220 3.049 2.203 1.00 0.00 C ATOM 633 O HIS A 43 16.092 3.517 2.029 1.00 0.00 O ATOM 634 CB HIS A 43 19.234 4.584 2.320 1.00 0.00 C ATOM 635 CG HIS A 43 19.978 3.915 3.444 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.821 4.184 4.783 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.933 2.939 3.317 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.651 3.383 5.461 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.340 2.590 4.612 1.00 0.00 N ATOM 0 H HIS A 43 18.025 5.335 0.343 1.00 0.00 H new ATOM 0 HA HIS A 43 19.054 2.767 1.166 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.948 5.120 1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.556 5.328 2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.302 2.519 2.393 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.755 3.372 6.536 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.023 1.876 4.864 1.00 0.00 H new ATOM 647 N VAL A 44 17.459 2.096 3.116 1.00 0.00 N ATOM 648 CA VAL A 44 16.430 1.499 3.969 1.00 0.00 C ATOM 649 C VAL A 44 15.708 2.557 4.812 1.00 0.00 C ATOM 650 O VAL A 44 14.506 2.445 5.036 1.00 0.00 O ATOM 651 CB VAL A 44 17.038 0.365 4.829 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.033 0.876 5.883 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.952 -0.468 5.517 1.00 0.00 C ATOM 0 H VAL A 44 18.390 1.714 3.282 1.00 0.00 H new ATOM 0 HA VAL A 44 15.667 1.053 3.331 1.00 0.00 H new ATOM 0 HB VAL A 44 17.587 -0.265 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.424 0.033 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.855 1.392 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.526 1.566 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.418 -1.254 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.358 0.174 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.306 -0.918 4.763 1.00 0.00 H new ATOM 663 N SER A 45 16.410 3.615 5.225 1.00 0.00 N ATOM 664 CA SER A 45 15.823 4.706 5.988 1.00 0.00 C ATOM 665 C SER A 45 14.645 5.348 5.232 1.00 0.00 C ATOM 666 O SER A 45 13.708 5.830 5.857 1.00 0.00 O ATOM 667 CB SER A 45 16.925 5.726 6.300 1.00 0.00 C ATOM 668 OG SER A 45 18.052 5.127 6.919 1.00 0.00 O ATOM 0 H SER A 45 17.405 3.734 5.036 1.00 0.00 H new ATOM 0 HA SER A 45 15.412 4.324 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.237 6.215 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.525 6.502 6.952 1.00 0.00 H new ATOM 0 HG SER A 45 18.674 4.812 6.231 1.00 0.00 H new ATOM 674 N ILE A 46 14.672 5.341 3.893 1.00 0.00 N ATOM 675 CA ILE A 46 13.614 5.928 3.075 1.00 0.00 C ATOM 676 C ILE A 46 12.528 4.895 2.790 1.00 0.00 C ATOM 677 O ILE A 46 11.370 5.267 2.618 1.00 0.00 O ATOM 678 CB ILE A 46 14.158 6.449 1.734 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.591 7.003 1.762 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.210 7.513 1.162 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.783 8.196 2.691 1.00 0.00 C ATOM 0 H ILE A 46 15.430 4.927 3.350 1.00 0.00 H new ATOM 0 HA ILE A 46 13.200 6.764 3.638 1.00 0.00 H new ATOM 0 HB ILE A 46 14.205 5.567 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.270 6.207 2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.875 7.295 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.602 7.877 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.225 7.075 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.129 8.343 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.821 8.525 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.132 9.011 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.533 7.906 3.712 1.00 0.00 H new ATOM 693 N VAL A 47 12.882 3.605 2.722 1.00 0.00 N ATOM 694 CA VAL A 47 11.885 2.547 2.652 1.00 0.00 C ATOM 695 C VAL A 47 10.963 2.696 3.860 1.00 0.00 C ATOM 696 O VAL A 47 9.752 2.600 3.700 1.00 0.00 O ATOM 697 CB VAL A 47 12.534 1.150 2.659 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.489 0.037 2.767 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.367 0.898 1.396 1.00 0.00 C ATOM 0 H VAL A 47 13.848 3.277 2.714 1.00 0.00 H new ATOM 0 HA VAL A 47 11.329 2.638 1.719 1.00 0.00 H new ATOM 0 HB VAL A 47 13.183 1.132 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.988 -0.932 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.925 0.156 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.809 0.093 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.806 -0.098 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.727 0.971 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.161 1.642 1.329 1.00 0.00 H new ATOM 709 N LYS A 48 11.524 2.899 5.057 1.00 0.00 N ATOM 710 CA LYS A 48 10.744 3.024 6.283 1.00 0.00 C ATOM 711 C LYS A 48 9.798 4.220 6.205 1.00 0.00 C ATOM 712 O LYS A 48 8.614 4.037 6.491 1.00 0.00 O ATOM 713 CB LYS A 48 11.668 3.082 7.507 1.00 0.00 C ATOM 714 CG LYS A 48 12.277 1.718 7.799 1.00 0.00 C ATOM 715 CD LYS A 48 13.074 1.832 9.099 1.00 0.00 C ATOM 716 CE LYS A 48 13.307 0.468 9.729 1.00 0.00 C ATOM 717 NZ LYS A 48 12.079 -0.146 10.287 1.00 0.00 N ATOM 0 H LYS A 48 12.531 2.981 5.198 1.00 0.00 H new ATOM 0 HA LYS A 48 10.120 2.137 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.462 3.808 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.106 3.426 8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.496 0.963 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.925 1.405 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.033 2.310 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.539 2.472 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.730 -0.201 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.047 0.566 10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.050 -1.155 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.081 -0.048 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.243 0.333 9.896 1.00 0.00 H new ATOM 731 N GLU A 49 10.284 5.379 5.748 1.00 0.00 N ATOM 732 CA GLU A 49 9.459 6.555 5.488 1.00 0.00 C ATOM 733 C GLU A 49 8.278 6.181 4.588 1.00 0.00 C ATOM 734 O GLU A 49 7.126 6.357 4.979 1.00 0.00 O ATOM 735 CB GLU A 49 10.287 7.696 4.853 1.00 0.00 C ATOM 736 CG GLU A 49 10.415 8.925 5.765 1.00 0.00 C ATOM 737 CD GLU A 49 10.855 10.194 5.012 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.573 10.094 3.991 1.00 0.00 O ATOM 739 OE2 GLU A 49 10.484 11.309 5.464 1.00 0.00 O ATOM 0 H GLU A 49 11.273 5.525 5.547 1.00 0.00 H new ATOM 0 HA GLU A 49 9.076 6.918 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.283 7.324 4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.823 7.995 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.457 9.111 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.135 8.710 6.555 1.00 0.00 H new ATOM 746 N PHE A 50 8.566 5.662 3.391 1.00 0.00 N ATOM 747 CA PHE A 50 7.568 5.312 2.392 1.00 0.00 C ATOM 748 C PHE A 50 6.562 4.302 2.913 1.00 0.00 C ATOM 749 O PHE A 50 5.367 4.446 2.661 1.00 0.00 O ATOM 750 CB PHE A 50 8.238 4.707 1.164 1.00 0.00 C ATOM 751 CG PHE A 50 8.399 5.644 -0.003 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.270 6.064 -0.720 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.676 5.997 -0.447 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.413 6.722 -1.953 1.00 0.00 C ATOM 755 CE2 PHE A 50 9.813 6.675 -1.665 1.00 0.00 C ATOM 756 CZ PHE A 50 8.699 6.971 -2.454 1.00 0.00 C ATOM 0 H PHE A 50 9.521 5.472 3.089 1.00 0.00 H new ATOM 0 HA PHE A 50 7.048 6.236 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.222 4.337 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.656 3.844 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.283 5.880 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.547 5.750 0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.541 7.033 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.796 6.974 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.827 7.388 -3.442 1.00 0.00 H new ATOM 766 N SER A 51 7.059 3.257 3.570 1.00 0.00 N ATOM 767 CA SER A 51 6.264 2.179 4.103 1.00 0.00 C ATOM 768 C SER A 51 5.222 2.795 5.014 1.00 0.00 C ATOM 769 O SER A 51 4.045 2.614 4.740 1.00 0.00 O ATOM 770 CB SER A 51 7.189 1.174 4.805 1.00 0.00 C ATOM 771 OG SER A 51 6.502 0.019 5.220 1.00 0.00 O ATOM 0 H SER A 51 8.057 3.143 3.746 1.00 0.00 H new ATOM 0 HA SER A 51 5.741 1.617 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.996 0.891 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.651 1.650 5.670 1.00 0.00 H new ATOM 0 HG SER A 51 6.891 -0.768 4.784 1.00 0.00 H new ATOM 777 N GLU A 52 5.618 3.582 6.017 1.00 0.00 N ATOM 778 CA GLU A 52 4.672 4.334 6.843 1.00 0.00 C ATOM 779 C GLU A 52 3.654 5.067 5.968 1.00 0.00 C ATOM 780 O GLU A 52 2.458 4.870 6.147 1.00 0.00 O ATOM 781 CB GLU A 52 5.392 5.342 7.755 1.00 0.00 C ATOM 782 CG GLU A 52 6.389 4.710 8.729 1.00 0.00 C ATOM 783 CD GLU A 52 5.884 4.533 10.155 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.820 5.517 10.939 1.00 0.00 O ATOM 785 OE2 GLU A 52 5.705 3.368 10.552 1.00 0.00 O ATOM 0 H GLU A 52 6.595 3.715 6.278 1.00 0.00 H new ATOM 0 HA GLU A 52 4.151 3.614 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.919 6.065 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.646 5.896 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.682 3.734 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.288 5.326 8.753 1.00 0.00 H new ATOM 792 N PHE A 53 4.087 5.881 5.003 1.00 0.00 N ATOM 793 CA PHE A 53 3.167 6.700 4.225 1.00 0.00 C ATOM 794 C PHE A 53 2.124 5.847 3.485 1.00 0.00 C ATOM 795 O PHE A 53 1.004 6.316 3.265 1.00 0.00 O ATOM 796 CB PHE A 53 3.970 7.607 3.281 1.00 0.00 C ATOM 797 CG PHE A 53 5.058 8.456 3.937 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.900 8.964 5.245 1.00 0.00 C ATOM 799 CD2 PHE A 53 6.243 8.753 3.230 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.913 9.744 5.829 1.00 0.00 C ATOM 801 CE2 PHE A 53 7.243 9.554 3.814 1.00 0.00 C ATOM 802 CZ PHE A 53 7.071 10.061 5.108 1.00 0.00 C ATOM 0 H PHE A 53 5.068 5.988 4.745 1.00 0.00 H new ATOM 0 HA PHE A 53 2.594 7.334 4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.434 6.983 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.275 8.273 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.997 8.752 5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.384 8.363 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.797 10.102 6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.144 9.778 3.263 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.828 10.694 5.548 1.00 0.00 H new ATOM 812 N ILE A 54 2.451 4.601 3.136 1.00 0.00 N ATOM 813 CA ILE A 54 1.531 3.612 2.589 1.00 0.00 C ATOM 814 C ILE A 54 0.638 3.053 3.697 1.00 0.00 C ATOM 815 O ILE A 54 -0.585 3.035 3.555 1.00 0.00 O ATOM 816 CB ILE A 54 2.307 2.507 1.840 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.081 3.097 0.636 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.349 1.423 1.314 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.254 2.227 0.182 1.00 0.00 C ATOM 0 H ILE A 54 3.401 4.243 3.232 1.00 0.00 H new ATOM 0 HA ILE A 54 0.878 4.090 1.859 1.00 0.00 H new ATOM 0 HB ILE A 54 3.007 2.067 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.393 3.230 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.454 4.086 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.920 0.656 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.816 0.971 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.632 1.873 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.751 2.700 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.963 2.115 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.885 1.246 -0.116 1.00 0.00 H new ATOM 831 N LEU A 55 1.242 2.523 4.759 1.00 0.00 N ATOM 832 CA LEU A 55 0.568 1.713 5.760 1.00 0.00 C ATOM 833 C LEU A 55 -0.498 2.524 6.485 1.00 0.00 C ATOM 834 O LEU A 55 -1.594 2.018 6.736 1.00 0.00 O ATOM 835 CB LEU A 55 1.568 1.199 6.801 1.00 0.00 C ATOM 836 CG LEU A 55 2.664 0.262 6.279 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.855 0.372 7.231 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.195 -1.192 6.143 1.00 0.00 C ATOM 0 H LEU A 55 2.236 2.650 4.948 1.00 0.00 H new ATOM 0 HA LEU A 55 0.105 0.874 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.046 2.058 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.013 0.677 7.581 1.00 0.00 H new ATOM 0 HG LEU A 55 2.942 0.568 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.656 -0.283 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.212 1.402 7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.548 0.076 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.015 -1.805 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.878 -1.565 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.359 -1.241 5.446 1.00 0.00 H new ATOM 850 N LYS A 56 -0.179 3.779 6.810 1.00 0.00 N ATOM 851 CA LYS A 56 -1.021 4.689 7.588 1.00 0.00 C ATOM 852 C LYS A 56 -2.302 5.016 6.822 1.00 0.00 C ATOM 853 O LYS A 56 -3.265 5.513 7.408 1.00 0.00 O ATOM 854 CB LYS A 56 -0.247 5.985 7.885 1.00 0.00 C ATOM 855 CG LYS A 56 1.115 5.755 8.555 1.00 0.00 C ATOM 856 CD LYS A 56 1.186 5.754 10.068 1.00 0.00 C ATOM 857 CE LYS A 56 2.666 5.438 10.365 1.00 0.00 C ATOM 858 NZ LYS A 56 3.093 5.724 11.746 1.00 0.00 N ATOM 0 H LYS A 56 0.704 4.204 6.528 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.289 4.203 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.095 6.528 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.855 6.621 8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.499 4.797 8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.797 6.524 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.891 6.718 10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.522 5.005 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.847 4.384 10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.290 6.012 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.132 5.712 11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.743 6.661 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.706 5.001 12.386 1.00 0.00 H new ATOM 872 N ARG A 57 -2.349 4.751 5.512 1.00 0.00 N ATOM 873 CA ARG A 57 -3.541 4.970 4.708 1.00 0.00 C ATOM 874 C ARG A 57 -4.683 4.057 5.136 1.00 0.00 C ATOM 875 O ARG A 57 -5.845 4.423 4.974 1.00 0.00 O ATOM 876 CB ARG A 57 -3.197 4.748 3.227 1.00 0.00 C ATOM 877 CG ARG A 57 -3.958 5.699 2.300 1.00 0.00 C ATOM 878 CD ARG A 57 -3.715 7.187 2.591 1.00 0.00 C ATOM 879 NE ARG A 57 -2.314 7.492 2.954 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.918 8.278 3.966 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.793 9.041 4.603 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.650 8.269 4.341 1.00 0.00 N ATOM 0 H ARG A 57 -1.558 4.379 4.986 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.878 5.996 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.125 4.884 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.427 3.718 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.672 5.490 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.025 5.493 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.991 7.771 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.370 7.503 3.403 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.583 7.066 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.774 9.033 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.486 9.637 5.372 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.019 7.667 3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.341 8.864 5.110 1.00 0.00 H new ATOM 896 N LEU A 58 -4.372 2.885 5.689 1.00 0.00 N ATOM 897 CA LEU A 58 -5.378 1.978 6.219 1.00 0.00 C ATOM 898 C LEU A 58 -6.000 2.553 7.482 1.00 0.00 C ATOM 899 O LEU A 58 -7.137 2.193 7.792 1.00 0.00 O ATOM 900 CB LEU A 58 -4.776 0.583 6.469 1.00 0.00 C ATOM 901 CG LEU A 58 -4.521 -0.277 5.212 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.819 -0.550 4.446 1.00 0.00 C ATOM 903 CD2 LEU A 58 -3.504 0.302 4.218 1.00 0.00 C ATOM 0 H LEU A 58 -3.416 2.542 5.780 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.171 1.865 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.832 0.706 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.444 0.034 7.132 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.096 -1.195 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.602 -1.158 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.518 -1.082 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.262 0.395 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.396 -0.376 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.853 1.272 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.540 0.422 4.712 1.00 0.00 H new ATOM 915 N ASP A 59 -5.332 3.476 8.177 1.00 0.00 N ATOM 916 CA ASP A 59 -5.930 4.173 9.305 1.00 0.00 C ATOM 917 C ASP A 59 -6.793 5.366 8.870 1.00 0.00 C ATOM 918 O ASP A 59 -7.380 6.038 9.716 1.00 0.00 O ATOM 919 CB ASP A 59 -4.823 4.614 10.269 1.00 0.00 C ATOM 920 CG ASP A 59 -5.337 4.484 11.702 1.00 0.00 C ATOM 921 OD1 ASP A 59 -5.436 3.339 12.212 1.00 0.00 O ATOM 922 OD2 ASP A 59 -5.658 5.541 12.294 1.00 0.00 O ATOM 0 H ASP A 59 -4.372 3.755 7.973 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.604 3.482 9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.934 3.999 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.533 5.644 10.064 1.00 0.00 H new ATOM 927 N ASN A 60 -6.857 5.691 7.569 1.00 0.00 N ATOM 928 CA ASN A 60 -7.473 6.928 7.073 1.00 0.00 C ATOM 929 C ASN A 60 -8.970 6.728 6.785 1.00 0.00 C ATOM 930 O ASN A 60 -9.421 5.614 6.489 1.00 0.00 O ATOM 931 CB ASN A 60 -6.690 7.457 5.854 1.00 0.00 C ATOM 932 CG ASN A 60 -6.279 8.913 6.035 1.00 0.00 C ATOM 933 OD1 ASN A 60 -5.535 9.207 6.959 1.00 0.00 O ATOM 934 ND2 ASN A 60 -6.688 9.835 5.182 1.00 0.00 N ATOM 0 H ASN A 60 -6.480 5.098 6.829 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.417 7.692 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.801 6.845 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.303 7.361 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.383 10.802 5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.309 9.580 4.414 1.00 0.00 H new ATOM 941 N LYS A 61 -9.781 7.782 6.927 1.00 0.00 N ATOM 942 CA LYS A 61 -11.241 7.688 7.081 1.00 0.00 C ATOM 943 C LYS A 61 -11.937 7.968 5.745 1.00 0.00 C ATOM 944 O LYS A 61 -12.695 8.930 5.603 1.00 0.00 O ATOM 945 CB LYS A 61 -11.749 8.631 8.199 1.00 0.00 C ATOM 946 CG LYS A 61 -11.365 8.279 9.648 1.00 0.00 C ATOM 947 CD LYS A 61 -9.862 8.141 9.915 1.00 0.00 C ATOM 948 CE LYS A 61 -9.539 8.198 11.409 1.00 0.00 C ATOM 949 NZ LYS A 61 -8.121 7.868 11.665 1.00 0.00 N ATOM 0 H LYS A 61 -9.437 8.742 6.939 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.491 6.671 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.381 9.635 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.837 8.671 8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.765 9.048 10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.852 7.342 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.505 7.197 9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.327 8.937 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.758 9.195 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.180 7.501 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.051 7.277 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.733 7.350 10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.580 8.745 11.806 1.00 0.00 H new ATOM 963 N SER A 62 -11.703 7.101 4.768 1.00 0.00 N ATOM 964 CA SER A 62 -12.432 7.068 3.508 1.00 0.00 C ATOM 965 C SER A 62 -12.546 5.609 3.075 1.00 0.00 C ATOM 966 O SER A 62 -11.595 4.834 3.238 1.00 0.00 O ATOM 967 CB SER A 62 -11.674 7.927 2.491 1.00 0.00 C ATOM 968 OG SER A 62 -12.038 7.610 1.166 1.00 0.00 O ATOM 0 H SER A 62 -10.982 6.383 4.833 1.00 0.00 H new ATOM 0 HA SER A 62 -13.439 7.475 3.598 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.877 8.981 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.601 7.781 2.619 1.00 0.00 H new ATOM 0 HG SER A 62 -12.659 8.288 0.826 1.00 0.00 H new ATOM 974 N PRO A 63 -13.667 5.216 2.456 1.00 0.00 N ATOM 975 CA PRO A 63 -13.817 3.929 1.807 1.00 0.00 C ATOM 976 C PRO A 63 -13.208 3.917 0.395 1.00 0.00 C ATOM 977 O PRO A 63 -13.372 2.907 -0.292 1.00 0.00 O ATOM 978 CB PRO A 63 -15.329 3.735 1.723 1.00 0.00 C ATOM 979 CG PRO A 63 -15.768 5.149 1.376 1.00 0.00 C ATOM 980 CD PRO A 63 -14.859 6.020 2.228 1.00 0.00 C ATOM 0 HA PRO A 63 -13.303 3.141 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.613 3.013 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.756 3.387 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.645 5.359 0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.819 5.313 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.614 6.952 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.339 6.289 3.169 1.00 0.00 H new ATOM 988 N ILE A 64 -12.410 4.905 -0.043 1.00 0.00 N ATOM 989 CA ILE A 64 -11.624 4.865 -1.285 1.00 0.00 C ATOM 990 C ILE A 64 -10.123 4.905 -1.007 1.00 0.00 C ATOM 991 O ILE A 64 -9.370 4.130 -1.603 1.00 0.00 O ATOM 992 CB ILE A 64 -12.033 6.035 -2.185 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.567 6.077 -2.240 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.445 5.835 -3.592 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.172 7.269 -1.503 1.00 0.00 C ATOM 0 H ILE A 64 -12.291 5.777 0.472 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.833 3.923 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.653 6.977 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.884 6.106 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.963 5.156 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.737 6.669 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.358 5.790 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.823 4.904 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.258 7.234 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.885 7.231 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.805 8.195 -1.946 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.691 5.758 -0.075 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.283 5.914 0.277 1.00 0.00 C ATOM 1009 C VAL A 65 -7.659 4.562 0.656 1.00 0.00 C ATOM 1010 O VAL A 65 -6.445 4.388 0.536 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.189 6.955 1.420 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.507 6.353 2.795 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.864 7.711 1.472 1.00 0.00 C ATOM 0 H VAL A 65 -10.315 6.363 0.459 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.711 6.276 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.959 7.686 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.426 7.127 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.521 5.952 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.801 5.552 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.882 8.419 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.047 7.004 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.716 8.250 0.536 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.464 3.628 1.192 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.914 2.384 1.739 1.00 0.00 C ATOM 1025 C LYS A 66 -7.528 1.485 0.565 1.00 0.00 C ATOM 1026 O LYS A 66 -6.407 0.999 0.472 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.919 1.676 2.685 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.757 2.083 4.150 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.772 1.473 5.108 1.00 0.00 C ATOM 1030 CE LYS A 66 -11.234 1.883 5.000 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.501 3.251 5.500 1.00 0.00 N ATOM 0 H LYS A 66 -9.479 3.711 1.256 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.036 2.608 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.935 1.904 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.791 0.597 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.756 1.803 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.823 3.169 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.725 0.390 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.442 1.698 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.545 1.818 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.844 1.174 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.390 3.256 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.720 3.554 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.581 3.905 4.696 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.481 1.233 -0.323 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.412 0.354 -1.473 1.00 0.00 C ATOM 1047 C GLN A 67 -7.315 0.841 -2.415 1.00 0.00 C ATOM 1048 O GLN A 67 -6.514 0.035 -2.890 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.814 0.291 -2.115 1.00 0.00 C ATOM 1050 CG GLN A 67 -9.973 -0.892 -3.075 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.230 -0.741 -4.399 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.048 0.354 -4.924 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -8.806 -1.842 -4.984 1.00 0.00 N ATOM 0 H GLN A 67 -9.396 1.677 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.139 -0.665 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.566 0.219 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.004 1.219 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.622 -1.796 -2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.034 -1.034 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.961 -2.747 -4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.322 -1.789 -5.880 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.221 2.161 -2.615 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.142 2.770 -3.380 1.00 0.00 C ATOM 1064 C LYS A 68 -4.766 2.348 -2.849 1.00 0.00 C ATOM 1065 O LYS A 68 -3.896 2.024 -3.659 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.292 4.298 -3.393 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.365 4.814 -4.374 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.451 6.351 -4.399 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.554 6.850 -5.337 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.090 7.769 -6.399 1.00 0.00 N ATOM 0 H LYS A 68 -7.895 2.832 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.211 2.411 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.540 4.637 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.332 4.745 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.141 4.450 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.335 4.404 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.639 6.720 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.493 6.762 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.033 5.989 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.316 7.356 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.755 7.740 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.042 8.738 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.146 7.477 -6.723 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.547 2.342 -1.528 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.294 1.875 -0.941 1.00 0.00 C ATOM 1086 C ALA A 69 -3.149 0.358 -1.075 1.00 0.00 C ATOM 1087 O ALA A 69 -2.065 -0.130 -1.366 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.212 2.281 0.531 1.00 0.00 C ATOM 0 H ALA A 69 -5.232 2.660 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.475 2.344 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.273 1.926 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.259 3.367 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.046 1.840 1.077 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.223 -0.409 -0.893 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.163 -1.870 -0.923 1.00 0.00 C ATOM 1096 C LEU A 70 -3.635 -2.399 -2.262 1.00 0.00 C ATOM 1097 O LEU A 70 -2.748 -3.256 -2.258 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.535 -2.462 -0.569 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.898 -2.302 0.918 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.368 -2.653 1.149 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -4.991 -3.165 1.795 1.00 0.00 C ATOM 0 H LEU A 70 -5.157 -0.037 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.447 -2.196 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.300 -1.979 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.544 -3.521 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.745 -1.260 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.609 -2.535 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.998 -1.989 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.547 -3.686 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.266 -3.035 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.106 -4.213 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.953 -2.863 1.653 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.119 -1.876 -3.400 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.557 -2.246 -4.707 1.00 0.00 C ATOM 1115 C ARG A 71 -2.094 -1.805 -4.836 1.00 0.00 C ATOM 1116 O ARG A 71 -1.275 -2.540 -5.376 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.421 -1.744 -5.886 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.580 -0.217 -5.981 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.233 0.239 -7.288 1.00 0.00 C ATOM 1120 NE ARG A 71 -6.701 0.086 -7.296 1.00 0.00 N ATOM 1121 CZ ARG A 71 -7.417 -0.817 -7.974 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -6.834 -1.713 -8.758 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -8.740 -0.844 -7.843 1.00 0.00 N ATOM 0 H ARG A 71 -4.887 -1.206 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.573 -3.335 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.982 -2.106 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.412 -2.192 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.180 0.133 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.600 0.251 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.984 1.285 -7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.811 -0.333 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.228 0.742 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.819 -1.723 -8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.401 -2.392 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.205 -0.177 -7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.290 -1.531 -8.359 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.766 -0.607 -4.343 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.419 -0.043 -4.385 1.00 0.00 C ATOM 1139 C LEU A 72 0.573 -0.923 -3.621 1.00 0.00 C ATOM 1140 O LEU A 72 1.741 -0.959 -3.995 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.475 1.394 -3.823 1.00 0.00 C ATOM 1142 CG LEU A 72 0.868 2.052 -3.450 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.734 2.353 -4.670 1.00 0.00 C ATOM 1144 CD2 LEU A 72 0.575 3.357 -2.705 1.00 0.00 C ATOM 0 H LEU A 72 -2.445 0.008 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.061 -0.008 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.969 2.027 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.107 1.386 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 72 1.425 1.352 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.667 2.816 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.952 1.425 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.202 3.033 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.514 3.839 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.000 4.022 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.002 3.140 -1.803 1.00 0.00 H new ATOM 1156 N ILE A 73 0.148 -1.604 -2.548 1.00 0.00 N ATOM 1157 CA ILE A 73 1.070 -2.371 -1.718 1.00 0.00 C ATOM 1158 C ILE A 73 1.542 -3.524 -2.588 1.00 0.00 C ATOM 1159 O ILE A 73 2.690 -3.546 -3.006 1.00 0.00 O ATOM 1160 CB ILE A 73 0.430 -2.835 -0.384 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.257 -1.639 0.572 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.326 -3.900 0.294 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.760 -1.873 1.693 1.00 0.00 C ATOM 0 H ILE A 73 -0.824 -1.636 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 73 1.913 -1.760 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.547 -3.266 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.223 -1.401 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.051 -0.768 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.867 -4.219 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.435 -4.759 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.308 -3.473 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.821 -0.984 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.738 -2.079 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.445 -2.723 2.298 1.00 0.00 H new ATOM 1175 N LYS A 74 0.654 -4.475 -2.884 1.00 0.00 N ATOM 1176 CA LYS A 74 0.997 -5.699 -3.588 1.00 0.00 C ATOM 1177 C LYS A 74 1.834 -5.448 -4.836 1.00 0.00 C ATOM 1178 O LYS A 74 2.715 -6.252 -5.124 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.254 -6.525 -3.917 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.323 -5.776 -4.736 1.00 0.00 C ATOM 1181 CD LYS A 74 -2.049 -6.799 -5.617 1.00 0.00 C ATOM 1182 CE LYS A 74 -3.040 -6.172 -6.592 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.606 -7.197 -7.500 1.00 0.00 N ATOM 0 H LYS A 74 -0.333 -4.410 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 74 1.619 -6.280 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.049 -7.415 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.703 -6.866 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.029 -5.275 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.860 -5.004 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.311 -7.370 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.579 -7.505 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.844 -5.687 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.542 -5.398 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.448 -6.813 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.896 -7.460 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.872 -8.039 -6.950 1.00 0.00 H new ATOM 1197 N TYR A 75 1.559 -4.378 -5.582 1.00 0.00 N ATOM 1198 CA TYR A 75 2.292 -4.043 -6.787 1.00 0.00 C ATOM 1199 C TYR A 75 3.737 -3.668 -6.448 1.00 0.00 C ATOM 1200 O TYR A 75 4.647 -4.148 -7.109 1.00 0.00 O ATOM 1201 CB TYR A 75 1.540 -2.922 -7.526 1.00 0.00 C ATOM 1202 CG TYR A 75 2.188 -2.393 -8.804 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.983 -3.248 -9.597 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.029 -1.044 -9.194 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.617 -2.769 -10.751 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.616 -0.585 -10.388 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.409 -1.446 -11.173 1.00 0.00 C ATOM 1208 OH TYR A 75 3.970 -1.003 -12.325 1.00 0.00 O ATOM 0 H TYR A 75 0.814 -3.718 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 75 2.350 -4.905 -7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.543 -3.286 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.411 -2.087 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.104 -4.282 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.458 -0.366 -8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.267 -3.419 -11.317 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.458 0.435 -10.705 1.00 0.00 H new ATOM 0 HH TYR A 75 3.286 -0.567 -12.875 1.00 0.00 H new ATOM 1218 N ALA A 76 3.969 -2.825 -5.441 1.00 0.00 N ATOM 1219 CA ALA A 76 5.307 -2.450 -5.006 1.00 0.00 C ATOM 1220 C ALA A 76 6.026 -3.560 -4.221 1.00 0.00 C ATOM 1221 O ALA A 76 7.256 -3.526 -4.105 1.00 0.00 O ATOM 1222 CB ALA A 76 5.198 -1.165 -4.183 1.00 0.00 C ATOM 0 H ALA A 76 3.225 -2.382 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 76 5.923 -2.286 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.190 -0.864 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.768 -0.374 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.558 -1.340 -3.318 1.00 0.00 H new ATOM 1228 N VAL A 77 5.306 -4.527 -3.644 1.00 0.00 N ATOM 1229 CA VAL A 77 5.870 -5.684 -2.993 1.00 0.00 C ATOM 1230 C VAL A 77 6.408 -6.617 -4.080 1.00 0.00 C ATOM 1231 O VAL A 77 6.044 -6.596 -5.257 1.00 0.00 O ATOM 1232 CB VAL A 77 4.844 -6.370 -2.049 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.506 -7.504 -1.254 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.261 -5.478 -0.937 1.00 0.00 C ATOM 0 H VAL A 77 4.286 -4.514 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 77 6.693 -5.391 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 77 4.062 -6.679 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.768 -7.969 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.901 -8.250 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.320 -7.100 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.557 -6.056 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.068 -5.116 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.744 -4.629 -1.385 1.00 0.00 H new ATOM 1244 N GLY A 78 7.355 -7.424 -3.642 1.00 0.00 N ATOM 1245 CA GLY A 78 8.085 -8.403 -4.425 1.00 0.00 C ATOM 1246 C GLY A 78 9.079 -7.752 -5.379 1.00 0.00 C ATOM 1247 O GLY A 78 9.823 -8.471 -6.042 1.00 0.00 O ATOM 0 H GLY A 78 7.654 -7.413 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.616 -9.079 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.380 -9.009 -4.995 1.00 0.00 H new ATOM 1251 N LYS A 79 9.156 -6.416 -5.454 1.00 0.00 N ATOM 1252 CA LYS A 79 10.055 -5.703 -6.362 1.00 0.00 C ATOM 1253 C LYS A 79 10.977 -4.695 -5.684 1.00 0.00 C ATOM 1254 O LYS A 79 12.097 -4.482 -6.154 1.00 0.00 O ATOM 1255 CB LYS A 79 9.242 -5.125 -7.523 1.00 0.00 C ATOM 1256 CG LYS A 79 8.056 -4.194 -7.233 1.00 0.00 C ATOM 1257 CD LYS A 79 7.440 -3.582 -8.515 1.00 0.00 C ATOM 1258 CE LYS A 79 6.567 -4.484 -9.409 1.00 0.00 C ATOM 1259 NZ LYS A 79 7.243 -5.666 -9.981 1.00 0.00 N ATOM 0 H LYS A 79 8.587 -5.796 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 79 10.765 -6.426 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.934 -4.580 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.862 -5.965 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.287 -4.750 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.385 -3.390 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.836 -2.725 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.257 -3.199 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.712 -4.825 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.174 -3.881 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.788 -5.925 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.245 -5.445 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.172 -6.462 -9.316 1.00 0.00 H new ATOM 1273 N SER A 80 10.556 -4.144 -4.552 1.00 0.00 N ATOM 1274 CA SER A 80 11.275 -3.123 -3.808 1.00 0.00 C ATOM 1275 C SER A 80 12.285 -3.723 -2.811 1.00 0.00 C ATOM 1276 O SER A 80 12.494 -3.177 -1.725 1.00 0.00 O ATOM 1277 CB SER A 80 10.218 -2.223 -3.165 1.00 0.00 C ATOM 1278 OG SER A 80 9.320 -1.717 -4.138 1.00 0.00 O ATOM 0 H SER A 80 9.673 -4.407 -4.113 1.00 0.00 H new ATOM 0 HA SER A 80 11.904 -2.525 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.665 -2.786 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.705 -1.395 -2.650 1.00 0.00 H new ATOM 0 HG SER A 80 8.571 -2.339 -4.246 1.00 0.00 H new ATOM 1284 N GLY A 81 12.913 -4.847 -3.171 1.00 0.00 N ATOM 1285 CA GLY A 81 13.995 -5.460 -2.418 1.00 0.00 C ATOM 1286 C GLY A 81 13.525 -6.173 -1.158 1.00 0.00 C ATOM 1287 O GLY A 81 12.320 -6.276 -0.882 1.00 0.00 O ATOM 0 H GLY A 81 12.671 -5.363 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.515 -6.173 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.718 -4.692 -2.144 1.00 0.00 H new ATOM 1291 N SER A 82 14.491 -6.698 -0.403 1.00 0.00 N ATOM 1292 CA SER A 82 14.239 -7.282 0.904 1.00 0.00 C ATOM 1293 C SER A 82 13.706 -6.230 1.869 1.00 0.00 C ATOM 1294 O SER A 82 12.885 -6.553 2.715 1.00 0.00 O ATOM 1295 CB SER A 82 15.515 -7.908 1.471 1.00 0.00 C ATOM 1296 OG SER A 82 15.936 -9.049 0.745 1.00 0.00 O ATOM 0 H SER A 82 15.470 -6.728 -0.686 1.00 0.00 H new ATOM 0 HA SER A 82 13.488 -8.063 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.312 -7.165 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.346 -8.187 2.511 1.00 0.00 H new ATOM 0 HG SER A 82 16.754 -9.409 1.147 1.00 0.00 H new ATOM 1302 N GLU A 83 14.114 -4.972 1.728 1.00 0.00 N ATOM 1303 CA GLU A 83 13.819 -3.940 2.708 1.00 0.00 C ATOM 1304 C GLU A 83 12.301 -3.732 2.788 1.00 0.00 C ATOM 1305 O GLU A 83 11.668 -3.982 3.815 1.00 0.00 O ATOM 1306 CB GLU A 83 14.557 -2.645 2.325 1.00 0.00 C ATOM 1307 CG GLU A 83 16.085 -2.707 2.107 1.00 0.00 C ATOM 1308 CD GLU A 83 16.770 -3.994 2.576 1.00 0.00 C ATOM 1309 OE1 GLU A 83 17.017 -4.155 3.788 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.079 -4.847 1.717 1.00 0.00 O ATOM 0 H GLU A 83 14.658 -4.643 0.930 1.00 0.00 H new ATOM 0 HA GLU A 83 14.167 -4.243 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.106 -2.265 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.363 -1.909 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.288 -2.576 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.542 -1.864 2.625 1.00 0.00 H new ATOM 1317 N PHE A 84 11.699 -3.306 1.677 1.00 0.00 N ATOM 1318 CA PHE A 84 10.300 -2.904 1.642 1.00 0.00 C ATOM 1319 C PHE A 84 9.360 -4.046 1.997 1.00 0.00 C ATOM 1320 O PHE A 84 8.318 -3.812 2.607 1.00 0.00 O ATOM 1321 CB PHE A 84 9.988 -2.376 0.246 1.00 0.00 C ATOM 1322 CG PHE A 84 8.537 -2.006 0.033 1.00 0.00 C ATOM 1323 CD1 PHE A 84 8.025 -0.812 0.572 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.686 -2.886 -0.660 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.671 -0.491 0.395 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.332 -2.565 -0.829 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.822 -1.364 -0.309 1.00 0.00 C ATOM 0 H PHE A 84 12.172 -3.231 0.776 1.00 0.00 H new ATOM 0 HA PHE A 84 10.143 -2.129 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.607 -1.499 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.270 -3.131 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.673 -0.144 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.076 -3.809 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.279 0.430 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.680 -3.242 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.781 -1.112 -0.449 1.00 0.00 H new ATOM 1337 N ARG A 85 9.686 -5.278 1.587 1.00 0.00 N ATOM 1338 CA ARG A 85 8.772 -6.387 1.863 1.00 0.00 C ATOM 1339 C ARG A 85 8.648 -6.558 3.368 1.00 0.00 C ATOM 1340 O ARG A 85 7.537 -6.691 3.866 1.00 0.00 O ATOM 1341 CB ARG A 85 9.132 -7.688 1.121 1.00 0.00 C ATOM 1342 CG ARG A 85 10.545 -8.196 1.413 1.00 0.00 C ATOM 1343 CD ARG A 85 10.992 -9.340 0.510 1.00 0.00 C ATOM 1344 NE ARG A 85 10.421 -10.640 0.870 1.00 0.00 N ATOM 1345 CZ ARG A 85 10.794 -11.775 0.275 1.00 0.00 C ATOM 1346 NH1 ARG A 85 11.516 -11.742 -0.842 1.00 0.00 N ATOM 1347 NH2 ARG A 85 10.472 -12.936 0.821 1.00 0.00 N ATOM 0 H ARG A 85 10.539 -5.524 1.084 1.00 0.00 H new ATOM 0 HA ARG A 85 7.791 -6.135 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.414 -8.461 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.030 -7.523 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.246 -7.368 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.594 -8.526 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.717 -9.106 -0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.079 -9.411 0.541 1.00 0.00 H new ATOM 0 HE ARG A 85 9.712 -10.679 1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.787 -10.846 -1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.798 -12.612 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.942 -12.960 1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.754 -13.807 0.371 1.00 0.00 H new ATOM 1361 N ARG A 86 9.753 -6.523 4.115 1.00 0.00 N ATOM 1362 CA ARG A 86 9.673 -6.763 5.547 1.00 0.00 C ATOM 1363 C ARG A 86 9.056 -5.568 6.257 1.00 0.00 C ATOM 1364 O ARG A 86 8.290 -5.788 7.184 1.00 0.00 O ATOM 1365 CB ARG A 86 11.052 -7.098 6.127 1.00 0.00 C ATOM 1366 CG ARG A 86 11.782 -8.223 5.375 1.00 0.00 C ATOM 1367 CD ARG A 86 11.030 -9.548 5.215 1.00 0.00 C ATOM 1368 NE ARG A 86 10.896 -10.247 6.498 1.00 0.00 N ATOM 1369 CZ ARG A 86 11.790 -11.090 7.027 1.00 0.00 C ATOM 1370 NH1 ARG A 86 12.917 -11.383 6.386 1.00 0.00 N ATOM 1371 NH2 ARG A 86 11.550 -11.641 8.208 1.00 0.00 N ATOM 0 H ARG A 86 10.690 -6.335 3.759 1.00 0.00 H new ATOM 0 HA ARG A 86 9.027 -7.625 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.671 -6.201 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.937 -7.387 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.039 -7.856 4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.720 -8.425 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.041 -9.359 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.559 -10.185 4.506 1.00 0.00 H new ATOM 0 HE ARG A 86 10.046 -10.075 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.111 -10.963 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.588 -12.028 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.688 -11.421 8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.227 -12.285 8.618 1.00 0.00 H new ATOM 1385 N GLU A 87 9.283 -4.333 5.812 1.00 0.00 N ATOM 1386 CA GLU A 87 8.590 -3.177 6.394 1.00 0.00 C ATOM 1387 C GLU A 87 7.071 -3.245 6.187 1.00 0.00 C ATOM 1388 O GLU A 87 6.321 -2.821 7.070 1.00 0.00 O ATOM 1389 CB GLU A 87 9.172 -1.863 5.853 1.00 0.00 C ATOM 1390 CG GLU A 87 10.631 -1.627 6.280 1.00 0.00 C ATOM 1391 CD GLU A 87 10.833 -1.659 7.800 1.00 0.00 C ATOM 1392 OE1 GLU A 87 10.016 -1.090 8.556 1.00 0.00 O ATOM 1393 OE2 GLU A 87 11.853 -2.215 8.264 1.00 0.00 O ATOM 0 H GLU A 87 9.933 -4.105 5.060 1.00 0.00 H new ATOM 0 HA GLU A 87 8.759 -3.206 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.115 -1.868 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.559 -1.031 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.264 -2.386 5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.962 -0.662 5.897 1.00 0.00 H new ATOM 1400 N MET A 88 6.615 -3.844 5.083 1.00 0.00 N ATOM 1401 CA MET A 88 5.210 -4.172 4.884 1.00 0.00 C ATOM 1402 C MET A 88 4.775 -5.246 5.891 1.00 0.00 C ATOM 1403 O MET A 88 3.789 -5.040 6.596 1.00 0.00 O ATOM 1404 CB MET A 88 4.952 -4.566 3.419 1.00 0.00 C ATOM 1405 CG MET A 88 5.065 -3.356 2.485 1.00 0.00 C ATOM 1406 SD MET A 88 3.590 -2.303 2.453 1.00 0.00 S ATOM 1407 CE MET A 88 4.251 -0.825 3.243 1.00 0.00 C ATOM 0 H MET A 88 7.215 -4.114 4.304 1.00 0.00 H new ATOM 0 HA MET A 88 4.593 -3.294 5.076 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.668 -5.330 3.115 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.959 -5.006 3.329 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.921 -2.754 2.790 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.268 -3.709 1.474 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.541 -0.005 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.417 -1.022 4.302 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.196 -0.553 2.773 1.00 0.00 H new ATOM 1417 N GLN A 89 5.503 -6.366 6.012 1.00 0.00 N ATOM 1418 CA GLN A 89 5.209 -7.458 6.955 1.00 0.00 C ATOM 1419 C GLN A 89 5.090 -6.954 8.395 1.00 0.00 C ATOM 1420 O GLN A 89 4.135 -7.304 9.093 1.00 0.00 O ATOM 1421 CB GLN A 89 6.294 -8.549 6.872 1.00 0.00 C ATOM 1422 CG GLN A 89 6.272 -9.244 5.524 1.00 0.00 C ATOM 1423 CD GLN A 89 7.351 -10.292 5.375 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.104 -10.624 6.289 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.467 -10.821 4.182 1.00 0.00 N ATOM 0 H GLN A 89 6.332 -6.543 5.444 1.00 0.00 H new ATOM 0 HA GLN A 89 4.246 -7.881 6.668 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.275 -8.103 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.138 -9.281 7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.298 -9.712 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.387 -8.499 4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.835 -10.536 3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.189 -11.518 4.001 1.00 0.00 H new ATOM 1434 N ARG A 90 6.027 -6.103 8.823 1.00 0.00 N ATOM 1435 CA ARG A 90 6.120 -5.560 10.176 1.00 0.00 C ATOM 1436 C ARG A 90 4.852 -4.838 10.606 1.00 0.00 C ATOM 1437 O ARG A 90 4.600 -4.785 11.812 1.00 0.00 O ATOM 1438 CB ARG A 90 7.323 -4.601 10.265 1.00 0.00 C ATOM 1439 CG ARG A 90 8.637 -5.375 10.410 1.00 0.00 C ATOM 1440 CD ARG A 90 9.859 -4.445 10.387 1.00 0.00 C ATOM 1441 NE ARG A 90 11.106 -5.204 10.581 1.00 0.00 N ATOM 1442 CZ ARG A 90 11.499 -5.823 11.698 1.00 0.00 C ATOM 1443 NH1 ARG A 90 10.812 -5.673 12.827 1.00 0.00 N ATOM 1444 NH2 ARG A 90 12.561 -6.619 11.677 1.00 0.00 N ATOM 0 H ARG A 90 6.769 -5.762 8.211 1.00 0.00 H new ATOM 0 HA ARG A 90 6.255 -6.401 10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.362 -3.977 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.196 -3.932 11.116 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.626 -5.936 11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.720 -6.103 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.897 -3.913 9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.762 -3.692 11.170 1.00 0.00 H new ATOM 0 HE ARG A 90 11.735 -5.263 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.980 -5.083 12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.117 -6.148 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.077 -6.758 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.861 -7.092 12.530 1.00 0.00 H new ATOM 1458 N ASN A 91 4.074 -4.297 9.669 1.00 0.00 N ATOM 1459 CA ASN A 91 2.897 -3.474 9.943 1.00 0.00 C ATOM 1460 C ASN A 91 1.660 -4.039 9.233 1.00 0.00 C ATOM 1461 O ASN A 91 0.634 -3.366 9.120 1.00 0.00 O ATOM 1462 CB ASN A 91 3.198 -2.025 9.532 1.00 0.00 C ATOM 1463 CG ASN A 91 4.376 -1.442 10.303 1.00 0.00 C ATOM 1464 OD1 ASN A 91 4.296 -1.289 11.520 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.489 -1.154 9.642 1.00 0.00 N ATOM 0 H ASN A 91 4.250 -4.423 8.672 1.00 0.00 H new ATOM 0 HA ASN A 91 2.671 -3.488 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.411 -1.989 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.314 -1.410 9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.302 -0.797 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.532 -1.289 8.632 1.00 0.00 H new ATOM 1472 N SER A 92 1.756 -5.270 8.720 1.00 0.00 N ATOM 1473 CA SER A 92 0.782 -5.913 7.854 1.00 0.00 C ATOM 1474 C SER A 92 -0.570 -6.149 8.532 1.00 0.00 C ATOM 1475 O SER A 92 -1.540 -6.424 7.818 1.00 0.00 O ATOM 1476 CB SER A 92 1.390 -7.236 7.371 1.00 0.00 C ATOM 1477 OG SER A 92 0.455 -8.029 6.674 1.00 0.00 O ATOM 0 H SER A 92 2.559 -5.869 8.912 1.00 0.00 H new ATOM 0 HA SER A 92 0.570 -5.249 7.016 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.241 -7.027 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.770 -7.793 8.227 1.00 0.00 H new ATOM 0 HG SER A 92 -0.453 -7.742 6.904 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.671 -6.062 9.860 1.00 0.00 N ATOM 1484 CA VAL A 93 -1.946 -6.216 10.549 1.00 0.00 C ATOM 1485 C VAL A 93 -2.976 -5.220 10.033 1.00 0.00 C ATOM 1486 O VAL A 93 -4.149 -5.573 9.952 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.743 -6.071 12.068 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.297 -4.671 12.517 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.991 -6.471 12.854 1.00 0.00 C ATOM 0 H VAL A 93 0.121 -5.885 10.478 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.332 -7.214 10.344 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.928 -6.759 12.291 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.178 -4.657 13.600 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.347 -4.423 12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.050 -3.938 12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.802 -6.353 13.921 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.826 -5.834 12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.237 -7.512 12.642 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.535 -4.023 9.636 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.413 -2.945 9.230 1.00 0.00 C ATOM 1501 C ALA A 94 -4.272 -3.343 8.031 1.00 0.00 C ATOM 1502 O ALA A 94 -5.431 -2.958 7.923 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.547 -1.750 8.849 1.00 0.00 C ATOM 0 H ALA A 94 -1.545 -3.782 9.590 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.083 -2.703 10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.185 -0.923 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.949 -1.445 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.886 -2.027 8.027 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.690 -4.107 7.113 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.360 -4.643 5.943 1.00 0.00 C ATOM 1511 C VAL A 95 -5.275 -5.777 6.391 1.00 0.00 C ATOM 1512 O VAL A 95 -6.458 -5.790 6.050 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.263 -5.123 4.977 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.811 -5.924 3.796 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.409 -3.940 4.503 1.00 0.00 C ATOM 0 H VAL A 95 -2.708 -4.376 7.168 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.979 -3.904 5.434 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.629 -5.812 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.987 -6.233 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.333 -6.806 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.504 -5.304 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.638 -4.298 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.042 -3.217 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.939 -3.463 5.363 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.726 -6.724 7.157 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.438 -7.896 7.657 1.00 0.00 C ATOM 1527 C ARG A 96 -6.703 -7.477 8.411 1.00 0.00 C ATOM 1528 O ARG A 96 -7.737 -8.119 8.290 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.474 -8.736 8.512 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.471 -9.469 7.627 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.379 -10.240 8.374 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.899 -11.447 9.027 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.288 -12.133 9.996 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -1.064 -11.787 10.387 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -2.897 -13.147 10.589 1.00 0.00 N ATOM 0 H ARG A 96 -3.750 -6.693 7.452 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.776 -8.519 6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.945 -8.091 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.038 -9.456 9.105 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.015 -10.167 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.994 -8.743 6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.591 -10.519 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.926 -9.591 9.123 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.806 -11.792 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.592 -10.997 9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.598 -12.311 11.127 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.841 -13.410 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.422 -13.665 11.328 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.669 -6.353 9.129 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.793 -5.877 9.929 1.00 0.00 C ATOM 1551 C ASN A 97 -8.887 -5.201 9.091 1.00 0.00 C ATOM 1552 O ASN A 97 -9.964 -4.881 9.608 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.288 -4.934 11.034 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.315 -4.836 12.153 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -8.914 -5.841 12.524 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.524 -3.659 12.713 1.00 0.00 N ATOM 0 H ASN A 97 -5.852 -5.744 9.170 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.258 -6.753 10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.341 -5.301 11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.097 -3.945 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.197 -3.569 13.474 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.012 -2.840 12.385 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.640 -4.986 7.794 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.581 -4.405 6.838 1.00 0.00 C ATOM 1565 C LEU A 98 -10.139 -5.435 5.851 1.00 0.00 C ATOM 1566 O LEU A 98 -11.017 -5.091 5.059 1.00 0.00 O ATOM 1567 CB LEU A 98 -8.951 -3.210 6.130 1.00 0.00 C ATOM 1568 CG LEU A 98 -9.170 -1.904 6.890 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -10.617 -1.414 6.884 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -8.644 -1.798 8.320 1.00 0.00 C ATOM 0 H LEU A 98 -7.744 -5.222 7.368 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.442 -4.049 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.881 -3.384 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.373 -3.120 5.129 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.532 -1.258 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.688 -0.482 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.940 -1.245 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.257 -2.165 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.878 -0.812 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.114 -2.562 8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.564 -1.944 8.322 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.702 -6.692 5.970 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.255 -7.878 5.292 1.00 0.00 C ATOM 1584 C PHE A 99 -11.780 -7.886 5.321 1.00 0.00 C ATOM 1585 O PHE A 99 -12.425 -8.239 4.338 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.783 -9.170 5.986 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.496 -9.792 5.482 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.446 -9.002 4.991 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.364 -11.194 5.484 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.289 -9.613 4.491 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.219 -11.811 4.948 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.186 -11.015 4.437 1.00 0.00 C ATOM 0 H PHE A 99 -8.913 -6.927 6.572 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.902 -7.835 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.664 -8.959 7.049 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.576 -9.912 5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.529 -7.925 4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.152 -11.803 5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.469 -9.002 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.137 -12.888 4.931 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.312 -11.477 4.002 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.357 -7.484 6.452 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.787 -7.348 6.621 1.00 0.00 C ATOM 1604 C HIS A 100 -14.017 -5.879 6.925 1.00 0.00 C ATOM 1605 O HIS A 100 -13.936 -5.457 8.084 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.281 -8.309 7.712 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.803 -9.723 7.479 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -14.312 -10.620 6.565 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.712 -10.306 8.066 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -13.543 -11.722 6.597 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.563 -11.578 7.507 1.00 0.00 N ATOM 0 H HIS A 100 -11.826 -7.241 7.288 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.361 -7.624 5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.931 -7.964 8.685 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.371 -8.295 7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.082 -9.863 8.823 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.691 -12.597 5.981 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.848 -12.266 7.744 1.00 0.00 H new ATOM 1619 N TYR A 101 -14.231 -5.082 5.878 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.595 -3.686 6.022 1.00 0.00 C ATOM 1621 C TYR A 101 -16.037 -3.488 5.574 1.00 0.00 C ATOM 1622 O TYR A 101 -16.500 -4.131 4.631 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.638 -2.797 5.224 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.889 -1.327 5.486 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -13.856 -0.850 6.807 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.256 -0.456 4.445 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.187 0.478 7.092 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.570 0.886 4.724 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.506 1.367 6.050 1.00 0.00 C ATOM 1630 OH TYR A 101 -14.728 2.680 6.318 1.00 0.00 O ATOM 0 H TYR A 101 -14.155 -5.393 4.909 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.514 -3.397 7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.609 -3.043 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.753 -3.002 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.572 -1.515 7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.297 -0.819 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.198 0.822 8.116 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.860 1.550 3.923 1.00 0.00 H new ATOM 0 HH TYR A 101 -14.935 3.153 5.485 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.740 -2.589 6.263 1.00 0.00 N ATOM 1641 CA LYS A 102 -18.154 -2.297 6.037 1.00 0.00 C ATOM 1642 C LYS A 102 -18.421 -0.800 6.038 1.00 0.00 C ATOM 1643 O LYS A 102 -19.197 -0.322 5.222 1.00 0.00 O ATOM 1644 CB LYS A 102 -19.004 -3.027 7.080 1.00 0.00 C ATOM 1645 CG LYS A 102 -18.952 -2.407 8.484 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.695 -3.220 9.538 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.214 -3.132 9.360 1.00 0.00 C ATOM 1648 NZ LYS A 102 -21.935 -4.100 10.217 1.00 0.00 N ATOM 0 H LYS A 102 -16.331 -2.030 7.012 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.434 -2.661 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -20.040 -3.043 6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.672 -4.064 7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.910 -2.301 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.377 -1.404 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.382 -4.263 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.424 -2.861 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.548 -2.122 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.467 -3.315 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.959 -4.004 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.637 -5.067 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.716 -3.910 11.216 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.718 -0.056 6.893 1.00 0.00 N ATOM 1663 CA GLY A 103 -17.789 1.398 6.942 1.00 0.00 C ATOM 1664 C GLY A 103 -19.234 1.849 7.062 1.00 0.00 C ATOM 1665 O GLY A 103 -19.816 1.615 8.123 1.00 0.00 O ATOM 0 H GLY A 103 -17.076 -0.455 7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.213 1.769 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.342 1.822 6.043 1.00 0.00 H new ATOM 1669 N HIS A 104 -19.792 2.443 6.004 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.208 2.754 5.823 1.00 0.00 C ATOM 1671 C HIS A 104 -21.636 2.338 4.408 1.00 0.00 C ATOM 1672 O HIS A 104 -20.773 2.230 3.536 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.436 4.262 6.010 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.771 4.630 7.425 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -22.984 5.105 7.859 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -20.960 4.498 8.516 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -22.905 5.252 9.187 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.686 4.905 9.637 1.00 0.00 N ATOM 0 H HIS A 104 -19.231 2.736 5.204 1.00 0.00 H new ATOM 0 HA HIS A 104 -21.799 2.211 6.560 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.540 4.801 5.702 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.244 4.586 5.354 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.940 4.143 8.512 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.712 5.602 9.813 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.358 4.933 10.602 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.945 2.170 4.155 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.485 1.875 2.835 1.00 0.00 C ATOM 1688 C PRO A 105 -23.351 3.064 1.876 1.00 0.00 C ATOM 1689 O PRO A 105 -22.681 4.067 2.144 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.939 1.447 3.088 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.322 2.262 4.323 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.024 2.275 5.128 1.00 0.00 C ATOM 0 HA PRO A 105 -22.932 1.083 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -25.582 1.675 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -25.019 0.375 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.646 3.269 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.138 1.799 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -23.936 3.192 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -23.995 1.445 5.834 1.00 0.00 H new ATOM 1700 N ASP A 106 -23.952 2.920 0.699 1.00 0.00 N ATOM 1701 CA ASP A 106 -23.851 3.864 -0.402 1.00 0.00 C ATOM 1702 C ASP A 106 -25.250 4.341 -0.801 1.00 0.00 C ATOM 1703 O ASP A 106 -26.219 3.599 -0.597 1.00 0.00 O ATOM 1704 CB ASP A 106 -23.195 3.177 -1.602 1.00 0.00 C ATOM 1705 CG ASP A 106 -21.667 3.195 -1.594 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -21.108 4.296 -1.377 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -21.073 2.131 -1.870 1.00 0.00 O ATOM 0 H ASP A 106 -24.541 2.116 0.481 1.00 0.00 H new ATOM 0 HA ASP A 106 -23.249 4.718 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -23.532 2.141 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -23.545 3.659 -2.515 1.00 0.00 H new ATOM 1712 N PRO A 107 -25.365 5.518 -1.441 1.00 0.00 N ATOM 1713 CA PRO A 107 -26.629 6.038 -1.951 1.00 0.00 C ATOM 1714 C PRO A 107 -27.150 5.307 -3.196 1.00 0.00 C ATOM 1715 O PRO A 107 -28.343 5.392 -3.489 1.00 0.00 O ATOM 1716 CB PRO A 107 -26.335 7.502 -2.290 1.00 0.00 C ATOM 1717 CG PRO A 107 -24.846 7.524 -2.620 1.00 0.00 C ATOM 1718 CD PRO A 107 -24.276 6.453 -1.702 1.00 0.00 C ATOM 0 HA PRO A 107 -27.413 5.903 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -26.934 7.842 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.566 8.158 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -24.662 7.295 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -24.404 8.501 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -23.433 5.947 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -23.908 6.891 -0.774 1.00 0.00 H new ATOM 1726 N LEU A 108 -26.274 4.644 -3.957 1.00 0.00 N ATOM 1727 CA LEU A 108 -26.584 3.932 -5.192 1.00 0.00 C ATOM 1728 C LEU A 108 -25.681 2.712 -5.333 1.00 0.00 C ATOM 1729 O LEU A 108 -26.177 1.609 -5.558 1.00 0.00 O ATOM 1730 CB LEU A 108 -26.456 4.821 -6.444 1.00 0.00 C ATOM 1731 CG LEU A 108 -25.367 5.909 -6.460 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -24.681 6.029 -7.822 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -25.991 7.261 -6.120 1.00 0.00 C ATOM 0 H LEU A 108 -25.285 4.589 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 108 -27.627 3.621 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -26.285 4.167 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -27.417 5.310 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 108 -24.618 5.621 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -23.922 6.810 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -24.211 5.079 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -25.421 6.283 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -25.220 8.031 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -26.757 7.504 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -26.442 7.214 -5.129 1.00 0.00 H new ATOM 1745 N LYS A 109 -24.371 2.892 -5.125 1.00 0.00 N ATOM 1746 CA LYS A 109 -23.336 1.876 -5.320 1.00 0.00 C ATOM 1747 C LYS A 109 -23.510 0.617 -4.460 1.00 0.00 C ATOM 1748 O LYS A 109 -22.790 -0.350 -4.695 1.00 0.00 O ATOM 1749 CB LYS A 109 -21.956 2.512 -5.080 1.00 0.00 C ATOM 1750 CG LYS A 109 -21.501 3.500 -6.165 1.00 0.00 C ATOM 1751 CD LYS A 109 -20.755 2.840 -7.331 1.00 0.00 C ATOM 1752 CE LYS A 109 -19.370 2.331 -6.897 1.00 0.00 C ATOM 1753 NZ LYS A 109 -19.184 0.902 -7.229 1.00 0.00 N ATOM 0 H LYS A 109 -23.991 3.783 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 109 -23.429 1.528 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -21.973 3.030 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -21.215 1.717 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -22.374 4.024 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -20.854 4.251 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -21.345 2.009 -7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -20.642 3.557 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.595 2.922 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -19.250 2.474 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.335 0.542 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -20.015 0.362 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -19.070 0.796 -8.257 1.00 0.00 H new ATOM 1767 N GLY A 110 -24.435 0.591 -3.500 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.761 -0.577 -2.696 1.00 0.00 C ATOM 1769 C GLY A 110 -23.550 -1.109 -1.951 1.00 0.00 C ATOM 1770 O GLY A 110 -23.178 -2.257 -2.160 1.00 0.00 O ATOM 0 H GLY A 110 -24.993 1.410 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.542 -0.319 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -25.164 -1.359 -3.339 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.946 -0.273 -1.101 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.779 -0.542 -0.249 1.00 0.00 C ATOM 1776 C ASP A 111 -20.582 -1.157 -0.998 1.00 0.00 C ATOM 1777 O ASP A 111 -19.629 -1.663 -0.406 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.204 -1.243 1.058 1.00 0.00 C ATOM 1779 CG ASP A 111 -22.045 -2.761 1.088 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -22.834 -3.466 0.443 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -21.239 -3.248 1.930 1.00 0.00 O ATOM 0 H ASP A 111 -23.284 0.682 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.362 0.415 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.623 -0.821 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.250 -1.004 1.251 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.571 -1.050 -2.331 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.466 -1.483 -3.165 1.00 0.00 C ATOM 1788 C ALA A 112 -18.190 -0.686 -2.869 1.00 0.00 C ATOM 1789 O ALA A 112 -17.092 -1.189 -3.128 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.855 -1.332 -4.632 1.00 0.00 C ATOM 0 H ALA A 112 -21.347 -0.652 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.255 -2.529 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.028 -1.656 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.732 -1.944 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -20.084 -0.287 -4.842 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.300 0.546 -2.355 1.00 0.00 N ATOM 1797 CA LEU A 113 -17.139 1.366 -2.030 1.00 0.00 C ATOM 1798 C LEU A 113 -16.323 0.668 -0.945 1.00 0.00 C ATOM 1799 O LEU A 113 -15.148 0.352 -1.149 1.00 0.00 O ATOM 1800 CB LEU A 113 -17.577 2.774 -1.579 1.00 0.00 C ATOM 1801 CG LEU A 113 -17.065 3.913 -2.470 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -17.617 3.829 -3.896 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -17.495 5.241 -1.844 1.00 0.00 C ATOM 0 H LEU A 113 -19.194 0.995 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.518 1.487 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.666 2.811 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.227 2.941 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.980 3.834 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.225 4.657 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -17.314 2.885 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -18.705 3.885 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -17.141 6.066 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -18.582 5.277 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.068 5.327 -0.845 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.936 0.427 0.215 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.305 -0.250 1.341 1.00 0.00 C ATOM 1817 C ASN A 114 -16.046 -1.716 1.023 1.00 0.00 C ATOM 1818 O ASN A 114 -14.982 -2.206 1.390 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.169 -0.144 2.610 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.590 -0.599 2.339 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -19.355 0.204 1.823 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -18.907 -1.863 2.581 1.00 0.00 N ATOM 0 H ASN A 114 -17.901 0.703 0.398 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.352 0.247 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.733 -0.752 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.175 0.886 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.833 -2.213 2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -18.225 -2.486 3.014 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.940 -2.421 0.328 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.732 -3.830 0.007 1.00 0.00 C ATOM 1831 C LYS A 115 -15.461 -3.988 -0.827 1.00 0.00 C ATOM 1832 O LYS A 115 -14.722 -4.936 -0.599 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.990 -4.385 -0.679 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.894 -5.866 -1.108 1.00 0.00 C ATOM 1835 CD LYS A 115 -18.275 -6.065 -2.582 1.00 0.00 C ATOM 1836 CE LYS A 115 -17.290 -5.338 -3.509 1.00 0.00 C ATOM 1837 NZ LYS A 115 -17.747 -5.327 -4.910 1.00 0.00 N ATOM 0 H LYS A 115 -17.817 -2.036 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.580 -4.417 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.836 -4.272 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.204 -3.779 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.878 -6.225 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.550 -6.468 -0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.284 -7.129 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.285 -5.692 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.158 -4.313 -3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.315 -5.822 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.051 -4.826 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.848 -6.305 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.665 -4.843 -4.972 1.00 0.00 H new ATOM 1851 N ALA A 116 -15.145 -3.054 -1.729 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.912 -3.125 -2.503 1.00 0.00 C ATOM 1853 C ALA A 116 -12.661 -3.140 -1.609 1.00 0.00 C ATOM 1854 O ALA A 116 -11.687 -3.788 -1.968 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.861 -1.971 -3.505 1.00 0.00 C ATOM 0 H ALA A 116 -15.728 -2.243 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.913 -4.069 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.937 -2.029 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.714 -2.038 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.895 -1.022 -2.969 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.655 -2.456 -0.457 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.553 -2.532 0.514 1.00 0.00 C ATOM 1863 C VAL A 117 -11.309 -3.992 0.876 1.00 0.00 C ATOM 1864 O VAL A 117 -10.173 -4.466 0.847 1.00 0.00 O ATOM 1865 CB VAL A 117 -11.853 -1.705 1.782 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -10.739 -1.791 2.831 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.003 -0.237 1.405 1.00 0.00 C ATOM 0 H VAL A 117 -13.412 -1.835 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.658 -2.109 0.058 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.767 -2.118 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.009 -1.189 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.607 -2.829 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.808 -1.417 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.215 0.349 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.079 0.118 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.823 -0.125 0.696 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.390 -4.655 1.283 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.401 -5.977 1.870 1.00 0.00 C ATOM 1879 C ARG A 118 -11.653 -6.952 0.952 1.00 0.00 C ATOM 1880 O ARG A 118 -10.735 -7.631 1.397 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.873 -6.302 2.258 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.680 -7.272 1.381 1.00 0.00 C ATOM 1883 CD ARG A 118 -14.520 -8.725 1.811 1.00 0.00 C ATOM 1884 NE ARG A 118 -15.401 -9.005 2.950 1.00 0.00 N ATOM 1885 CZ ARG A 118 -15.534 -10.182 3.554 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -14.599 -11.120 3.443 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -16.607 -10.386 4.306 1.00 0.00 N ATOM 0 H ARG A 118 -13.326 -4.257 1.204 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.844 -6.063 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.865 -6.704 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.419 -5.359 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -15.735 -7.000 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.363 -7.167 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -14.762 -9.388 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -13.483 -8.921 2.084 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.959 -8.231 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -13.762 -10.943 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -14.718 -12.017 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -17.305 -9.649 4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -16.735 -11.280 4.781 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.978 -6.980 -0.342 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.451 -7.991 -1.255 1.00 0.00 C ATOM 1903 C GLU A 119 -10.021 -7.677 -1.699 1.00 0.00 C ATOM 1904 O GLU A 119 -9.237 -8.598 -1.941 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.318 -8.088 -2.514 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.827 -8.122 -2.239 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.621 -8.358 -3.514 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -14.964 -7.368 -4.203 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -14.915 -9.530 -3.817 1.00 0.00 O ATOM 0 H GLU A 119 -12.608 -6.309 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.460 -8.932 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.097 -7.238 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.040 -8.987 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.049 -8.910 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.136 -7.180 -1.786 1.00 0.00 H new ATOM 1916 N THR A 120 -9.670 -6.394 -1.849 1.00 0.00 N ATOM 1917 CA THR A 120 -8.306 -6.019 -2.201 1.00 0.00 C ATOM 1918 C THR A 120 -7.371 -6.335 -1.029 1.00 0.00 C ATOM 1919 O THR A 120 -6.235 -6.739 -1.260 1.00 0.00 O ATOM 1920 CB THR A 120 -8.253 -4.533 -2.591 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.288 -4.215 -3.500 1.00 0.00 O ATOM 1922 CG2 THR A 120 -6.950 -4.108 -3.271 1.00 0.00 C ATOM 0 H THR A 120 -10.310 -5.608 -1.732 1.00 0.00 H new ATOM 0 HA THR A 120 -7.972 -6.596 -3.064 1.00 0.00 H new ATOM 0 HB THR A 120 -8.350 -4.005 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.122 -4.065 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 120 -6.995 -3.046 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.112 -4.291 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.813 -4.683 -4.187 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.840 -6.195 0.218 1.00 0.00 N ATOM 1931 CA ALA A 121 -7.016 -6.467 1.387 1.00 0.00 C ATOM 1932 C ALA A 121 -6.534 -7.917 1.410 1.00 0.00 C ATOM 1933 O ALA A 121 -5.381 -8.153 1.769 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.771 -6.114 2.671 1.00 0.00 C ATOM 0 H ALA A 121 -8.790 -5.894 0.436 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.130 -5.834 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.139 -6.324 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.031 -5.056 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.681 -6.711 2.734 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.390 -8.861 1.005 1.00 0.00 N ATOM 1941 CA HIS A 122 -7.028 -10.271 0.942 1.00 0.00 C ATOM 1942 C HIS A 122 -5.835 -10.446 -0.001 1.00 0.00 C ATOM 1943 O HIS A 122 -4.818 -11.021 0.389 1.00 0.00 O ATOM 1944 CB HIS A 122 -8.224 -11.126 0.503 1.00 0.00 C ATOM 1945 CG HIS A 122 -9.317 -11.319 1.532 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -10.027 -12.483 1.731 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.829 -10.384 2.393 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -10.958 -12.236 2.665 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.882 -10.973 3.098 1.00 0.00 N ATOM 0 H HIS A 122 -8.348 -8.665 0.714 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.740 -10.614 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.664 -10.671 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.854 -12.108 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.480 -9.368 2.507 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -11.675 -12.962 3.020 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.473 -10.529 3.801 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.947 -9.912 -1.220 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.911 -9.924 -2.251 1.00 0.00 C ATOM 1959 C GLU A 123 -3.590 -9.352 -1.746 1.00 0.00 C ATOM 1960 O GLU A 123 -2.528 -9.909 -2.020 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.399 -9.101 -3.454 1.00 0.00 C ATOM 1962 CG GLU A 123 -5.923 -9.986 -4.576 1.00 0.00 C ATOM 1963 CD GLU A 123 -4.817 -10.461 -5.512 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.437 -9.658 -6.401 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -4.409 -11.641 -5.444 1.00 0.00 O ATOM 0 H GLU A 123 -6.798 -9.440 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.730 -10.960 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.187 -8.420 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.580 -8.487 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.427 -10.852 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.669 -9.436 -5.150 1.00 0.00 H new ATOM 1972 N THR A 124 -3.645 -8.248 -1.002 1.00 0.00 N ATOM 1973 CA THR A 124 -2.454 -7.601 -0.500 1.00 0.00 C ATOM 1974 C THR A 124 -1.601 -8.580 0.323 1.00 0.00 C ATOM 1975 O THR A 124 -0.380 -8.602 0.163 1.00 0.00 O ATOM 1976 CB THR A 124 -2.864 -6.336 0.265 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.595 -5.441 -0.554 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.651 -5.586 0.800 1.00 0.00 C ATOM 0 H THR A 124 -4.515 -7.787 -0.737 1.00 0.00 H new ATOM 0 HA THR A 124 -1.811 -7.289 -1.323 1.00 0.00 H new ATOM 0 HB THR A 124 -3.487 -6.677 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 124 -2.978 -4.810 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.981 -4.696 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.094 -6.232 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.009 -5.292 -0.031 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.202 -9.391 1.195 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.462 -10.299 2.080 1.00 0.00 C ATOM 1988 C ILE A 125 -0.769 -11.407 1.296 1.00 0.00 C ATOM 1989 O ILE A 125 0.338 -11.811 1.674 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.402 -10.834 3.179 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.958 -9.661 3.995 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.750 -11.853 4.123 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.927 -8.693 4.561 1.00 0.00 C ATOM 0 H ILE A 125 -3.214 -9.439 1.309 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.662 -9.746 2.571 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.201 -11.366 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.646 -9.099 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.541 -10.064 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.478 -12.179 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.407 -12.714 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.900 -11.391 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.435 -7.906 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.250 -9.230 5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.357 -8.250 3.744 1.00 0.00 H new ATOM 2005 N SER A 126 -1.349 -11.815 0.167 1.00 0.00 N ATOM 2006 CA SER A 126 -0.695 -12.753 -0.735 1.00 0.00 C ATOM 2007 C SER A 126 0.692 -12.240 -1.148 1.00 0.00 C ATOM 2008 O SER A 126 1.619 -13.042 -1.311 1.00 0.00 O ATOM 2009 CB SER A 126 -1.543 -12.980 -1.991 1.00 0.00 C ATOM 2010 OG SER A 126 -2.911 -13.205 -1.699 1.00 0.00 O ATOM 0 H SER A 126 -2.271 -11.508 -0.142 1.00 0.00 H new ATOM 0 HA SER A 126 -0.582 -13.697 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.454 -12.113 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.148 -13.835 -2.540 1.00 0.00 H new ATOM 0 HG SER A 126 -3.406 -13.342 -2.534 1.00 0.00 H new ATOM 2016 N ALA A 127 0.827 -10.918 -1.325 1.00 0.00 N ATOM 2017 CA ALA A 127 2.051 -10.277 -1.761 1.00 0.00 C ATOM 2018 C ALA A 127 2.970 -9.987 -0.575 1.00 0.00 C ATOM 2019 O ALA A 127 4.158 -10.293 -0.659 1.00 0.00 O ATOM 2020 CB ALA A 127 1.719 -8.999 -2.526 1.00 0.00 C ATOM 0 H ALA A 127 0.065 -10.260 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 127 2.585 -10.954 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.642 -8.520 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.110 -9.244 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.167 -8.319 -1.877 1.00 0.00 H new ATOM 2026 N ILE A 128 2.457 -9.416 0.526 1.00 0.00 N ATOM 2027 CA ILE A 128 3.253 -9.063 1.711 1.00 0.00 C ATOM 2028 C ILE A 128 4.160 -10.242 2.121 1.00 0.00 C ATOM 2029 O ILE A 128 5.359 -10.046 2.339 1.00 0.00 O ATOM 2030 CB ILE A 128 2.330 -8.573 2.857 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.701 -7.202 2.513 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.117 -8.487 4.167 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.977 -6.494 3.673 1.00 0.00 C ATOM 0 H ILE A 128 1.468 -9.184 0.619 1.00 0.00 H new ATOM 0 HA ILE A 128 3.916 -8.232 1.471 1.00 0.00 H new ATOM 0 HB ILE A 128 1.521 -9.294 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.487 -6.544 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.992 -7.342 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.459 -8.142 4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.510 -9.472 4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.943 -7.786 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.574 -5.543 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.163 -7.124 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.681 -6.313 4.485 1.00 0.00 H new ATOM 2045 N PHE A 129 3.609 -11.455 2.213 1.00 0.00 N ATOM 2046 CA PHE A 129 4.343 -12.639 2.663 1.00 0.00 C ATOM 2047 C PHE A 129 4.832 -13.515 1.500 1.00 0.00 C ATOM 2048 O PHE A 129 5.288 -14.630 1.739 1.00 0.00 O ATOM 2049 CB PHE A 129 3.502 -13.402 3.696 1.00 0.00 C ATOM 2050 CG PHE A 129 3.192 -12.575 4.929 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.132 -12.464 5.972 1.00 0.00 C ATOM 2052 CD2 PHE A 129 1.987 -11.857 5.004 1.00 0.00 C ATOM 2053 CE1 PHE A 129 3.872 -11.631 7.076 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.728 -11.022 6.103 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.672 -10.903 7.138 1.00 0.00 C ATOM 0 H PHE A 129 2.635 -11.644 1.976 1.00 0.00 H new ATOM 0 HA PHE A 129 5.260 -12.314 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.568 -13.720 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.034 -14.305 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.056 -13.021 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.257 -11.947 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.594 -11.551 7.875 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.801 -10.470 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.475 -10.254 7.978 1.00 0.00 H new ATOM 2065 N SER A 130 4.760 -13.017 0.258 1.00 0.00 N ATOM 2066 CA SER A 130 5.246 -13.703 -0.935 1.00 0.00 C ATOM 2067 C SER A 130 6.717 -14.089 -0.778 1.00 0.00 C ATOM 2068 O SER A 130 7.455 -13.472 -0.001 1.00 0.00 O ATOM 2069 CB SER A 130 5.084 -12.775 -2.140 1.00 0.00 C ATOM 2070 OG SER A 130 5.243 -13.470 -3.360 1.00 0.00 O ATOM 0 H SER A 130 4.352 -12.104 0.056 1.00 0.00 H new ATOM 0 HA SER A 130 4.667 -14.615 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.098 -12.310 -2.112 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.817 -11.971 -2.081 1.00 0.00 H new ATOM 0 HG SER A 130 5.131 -12.847 -4.108 1.00 0.00 H new